Consensus flow list

Identity

Type
Neutral molecule
CAS
95-02-3
EC
202-384-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5-(aminomethyl)-2-methylpyrimidin-4-amine

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OZOHTVFCSKFMLL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
IUPAC name chemrof:IUPAC_name 5-(aminomethyl)-2-methylpyrimidin-4-amine
Molecular formula chemrof:molecular_formula C6H10N4
Molecular mass chemrof:molecular_mass 138.174
Monoisotopic mass chemrof:monoisotopic_mass 138.090546, 138.09055
SMILES string chemrof:smiles_string Cc1ncc(CN)c(N)n1

Known URLs

19

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-02-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44549 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.168 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40241713 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03204 enrich_references.pubchem_identifier_url
gmelin gmelin:675545 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EU1UNR0P28 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.937D enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C20267 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56559 enrich_references.pubchem_identifier_url
patent patent:EP0290888 enrich_references.chebi_xrefs
patent patent:EP1138675 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:NSP enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66762 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21904031 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3377143 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4995559 enrich_references.chebi_xrefs
reaxys reaxys:126861 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27094134 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
21c33db8-369c-4a37-9bfc-becddd06514c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c4c36f9d-2331-4369-a95a-922dd00de549 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5283d1d5-6dd1-4b77-8e57-892368236071 Environmental → Air → Indoor EF 3.1 kg 2
3828f666-aff1-4dfb-ba77-9c0e33bdf239 Environmental → Air → Long-term EF 3.1 kg 0
c1f04983-81e7-4eea-86ce-14bb686fbeb1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5bd6fcf8-7c0c-49ce-b8c7-42f16b377540 Environmental → Air → Unknown EF 3.1 kg 2
7199f6ac-9355-44e9-b0b0-067f91b16760 Environmental → Ground → Agricultural EF 3.1 kg 2
81998682-c078-4189-8284-e8e1e0153c9d Environmental → Ground → Non-agricultural EF 3.1 kg 2
b40f7bba-3cbd-4ec5-b31c-cf89d24f4b60 Environmental → Ground → Unknown EF 3.1 kg 2
d7c957bc-5e95-46d1-a706-f5a6ce92af9c Environmental → Water → Long-term EF 3.1 kg 0
52f1b453-6b0a-490f-a9d6-29500c996888 Environmental → Water → Ocean EF 3.1 kg 2
502362ae-5274-4d0e-aeef-58c71bedc182 Environmental → Water → Surface water EF 3.1 kg 2
85cbb9bb-f1a2-42de-93b9-30951cbc2b55 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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