5-(aminomethyl)-2-methylpyrimidin-4-amine
Everything that changed this flow. Back to the flow
85cbb9bb-f1a2-42de-93b9-30951cbc2b55
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | chebi_altlabels, consensus_match | group_key=5-(aminomethyl)-2-methylpyrimidin-4-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=95-02-3; added Common Chemistry CAS names as altLabel: 2-Methyl-4-amino-5-(aminomethyl)pyrimidine, 4-Amino-2-methyl-5-pyrimidinemethanamine, 4-Amino-5-aminomethyl-2-methylpyrimidine, 5-(Aminomethyl)-4-amino-2-methylpyrimidine, 5-Pyrimidinemethanamine, 4-amino-2-methyl-, Grewe diamine, Pyrimidine, 4-amino-5-(aminomethyl)-2-methyl-; object_uuid=fo-ce7ef0998d3840db |
| cas_match_labels | 1 | consensus_match | group_key=5-(aminomethyl)-2-methylpyrimidin-4-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'95-02-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce7ef0998d3840db: {'95-02-3': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['95-02-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44549']; candidate_pubchem_cids=[66762, 71584, 400073, 131574346]; selected_pubchem_cids=[66762]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,399 | bootstrap_labels | prefLabel | — | [{"@value":"5-(aminomethyl)-2-methylpyrimidin-4-amine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 18,400 | bootstrap_labels | name | 5-(aminomethyl)-2-methylpyrimidin-4-amine | — | Purged legacy name field to enforce prefLabel usage |
| 18,401 | bootstrap_labels | synonyms | ["organic","4-amino-2-methylpyrimidine-5-methylamine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 129,380 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 129,381 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,352 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 244,377 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,378 | enrich_references | skos_definition | — | [{"@value":"An aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminome… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,379 | enrich_references | references | [] | [{"@id":"gmelin:675545","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['95-02-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_44549']; candidate_pubchem_cids=[66762, 71584, 400073, 131574346]; selected_pubchem_cids=[66762]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 253,273 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | rdkit_pre_consensus from 'CC1=NC=C(C(=N1)N)CN'; added: monoisotopic_mass |
| 256,795 | chebi_altlabels | altLabel | [] | [{"@value":"2-Methyl-4-amino-5-aminomethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,001 | consensus_match | altLabel | [{"@value":"2-Methyl-4-amino-5-aminomethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | [{"@value":"2-Methyl-4-amino-5-aminomethylpyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels… | group_key=5-(aminomethyl)-2-methylpyrimidin-4-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=95-02-3; added Common Chemistry CAS names as altLabel: 2-Methyl-4-amino-5-(aminomethyl)pyrimidine, 4-Amino-2-methyl-5-pyrimidinemethanamine, 4-Amino-5-aminomethyl-2-methylpyrimidine, 5-(Aminomethyl)-4-amino-2-methylpyrimidine, 5-Pyrimidinemethanamine, 4-amino-2-methyl-, Grewe diamine, Pyrimidine, 4-amino-5-(aminomethyl)-2-methyl-; object_uuid=fo-ce7ef0998d3840db |
| 263,002 | consensus_match | cas_match_labels | — | {"95-02-3":"exactMatch"} | group_key=5-(aminomethyl)-2-methylpyrimidin-4-amine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'95-02-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ce7ef0998d3840db: {'95-02-3': 'exactMatch'} |
| 278,484 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-(aminomethyl)-2-methylpyrimidin-4-amine' |
| 285,248 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | rdkit_post_consensus from 'Cc1ncc(CN)c(N)n1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 345,691 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/85cbb9bb-f1a2-… | associations resolved on the elementary layer |
| 392,851 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10N4"],… | typed the way the ontology types it |
| 401,510 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1302361922970000/18399 | prefLabel | ef:agent/bootstrap_labels | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v0 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v1 |
| ef:activity/change/20260821T1302361922970000/18400 | name | ef:agent/bootstrap_labels | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v1 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v2 |
| ef:activity/change/20260821T1302361922970000/18401 | synonyms | ef:agent/bootstrap_labels | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v2 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v3 |
| ef:activity/change/20260821T1302361922970000/129380 | context | ef:agent/default_context_mapping | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v3 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v4 |
| ef:activity/change/20260821T1302361922970000/129381 | context_iri | ef:agent/default_context_mapping | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v4 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v5 |
| ef:activity/change/20260821T1302361922970000/219352 | unit_iri | ef:agent/unit_normalization | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v5 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v6 |
| ef:activity/change/20260821T1302361922970000/244377 | properties | ef:agent/enrich_references | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v6 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v7 |
| ef:activity/change/20260821T1302361922970000/244378 | skos_definition | ef:agent/enrich_references | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v7 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v8 |
| ef:activity/change/20260821T1302361922970000/244379 | references | ef:agent/enrich_references | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v8 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v9 |
| ef:activity/change/20260821T1302361922970000/253273 | properties | ef:agent/rdkit_pre_consensus | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v9 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v10 |
| ef:activity/change/20260821T1302361922970000/256795 | altLabel | ef:agent/chebi_altlabels | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v10 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v11 |
| ef:activity/change/20260821T1302361922970000/263001 | altLabel | ef:agent/consensus_match | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v11 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v12 |
| ef:activity/change/20260821T1302361922970000/263002 | cas_match_labels | ef:agent/consensus_match | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v12 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v13 |
| ef:activity/change/20260821T1302361922970000/278484 | properties | ef:agent/opsin_iupac | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v13 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v14 |
| ef:activity/change/20260821T1302361922970000/285248 | properties | ef:agent/rdkit_post_consensus | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v14 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v15 |
| ef:activity/change/20260821T1302361922970000/345691 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v15 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v16 |
| ef:activity/change/20260821T1302361922970000/392851 | properties | ef:agent/normalise_property_values | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v16 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v17 |
| ef:activity/change/20260821T1302361922970000/401510 | types | ef:agent/link_flows_to_their_substance | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v17 | ef:flow/85cbb9bb-f1a2-42de-93b9-30951cbc2b55/v18 |