Consensus flow list

Identity

Type
NeutralMolecule
CAS
5221-53-4
EC
226-021-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dimethirimol

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CJHXCRMKMMBYJQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
IUPAC name chemrof:IUPAC_name 2-Dimethylamino-4-hydroxy-5-n-butyl-6-methylpyrimidine
Molecular formula chemrof:molecular_formula C11H19N3O
Molecular mass chemrof:molecular_mass 209.293
Monoisotopic mass chemrof:monoisotopic_mass 209.15281, 209.152812
SMILES string chemrof:smiles_string CCCCc1c(C)nc(N(C)C)nc1O

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=5221-53-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81958 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.656 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041874 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=263490 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2288252 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1V1RC2A67P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.070H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18784 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18784 enrich_references.pubchem_identifier_url
patent patent:WO2006069715 enrich_references.chebi_xrefs
pesticides pesticides:dimethirimol enrich_references.chebi_xrefs
ppdb ppdb:243 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135424353 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/4833650 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5083102 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5675634 enrich_references.chebi_xrefs
reaxys reaxys:746334 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q19278310 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
575649be-aded-43ab-becb-04ae2039f923 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5ea0507a-50ea-4199-bdad-d6dc5e3fcf56 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2f1b868b-067b-43ce-a339-b06e1848cd77 Environmental → Air → Indoor EF 3.1 kg 2
1486c558-0d30-4a22-87c6-4df42f9fc1e6 Environmental → Air → Long-term EF 3.1 kg 0
483b9453-9481-4a5c-8dbb-86b0d73d2379 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
38af5435-0385-4f7a-b2c8-712861e9addd Environmental → Air → Unknown EF 3.1 kg 2
36352a17-0e17-4695-ac5b-dfae6642af9f Environmental → Ground → Agricultural EF 3.1 kg 2
20fa4c6a-3597-4b5a-9b6a-0fc5672cbb77 Environmental → Ground → Non-agricultural EF 3.1 kg 2
134d2705019c04758a8e1ecf8ddf50d44a4b5831 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
9ef9952c-1aa3-4998-98cb-364ed29dbe0c Environmental → Ground → Unknown EF 3.1 kg 2
3165ff00-0b81-4b4e-8226-6117bc8bb96f Environmental → Water → Long-term EF 3.1 kg 0
37e07e62-cca4-4d81-81b9-2d133da2fa41 Environmental → Water → Ocean EF 3.1 kg 2
d05a4679-09a2-424b-991d-828df8fe39ab Environmental → Water → Surface water EF 3.1 kg 2
65ed3a1f-fd11-4cea-afd8-860968809da1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b782a2b42e751210",
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    {
      "@value": "Dimethirimol",
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  ],
  "altLabel": [
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    {
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      "@value": "4(1H)-Pyrimidinone, 5-butyl-2-(dimethylamino)-6-methyl-",
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    },
    {
      "@value": "5-Butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone",
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    },
    {
      "@value": "5-butyl-2-(dimethylamino)-6-methylpyrimidin-4(1H)-one",
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    },
    {
      "@value": "5-n-Butyl-2-dimethylamino-4-hydroxy-6-methylpyrimidine",
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    },
    {
      "@value": "Dimethyrimol",
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    },
    {
      "@value": "Melkeb",
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      }
    },
    {
      "@value": "Methyrimol",
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      }
    },
    {
      "@value": "Milcurb",
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  ],
  "properties": {
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      },
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      "rdfs:label": "InChI",
      "@value": [
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      "rdfs:label": "IUPAC name",
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