Consensus flow list

Identity

Type
Neutral molecule
CAS
1852-17-1
EC
217-443-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tetrahydro-2(1h)-pyrimidinone

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NQPJDJVGBDHCAD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
IUPAC name chemrof:IUPAC_name Tetrahydro-2(1h)-pyrimidinone
Molecular formula chemrof:molecular_formula C4H8N2O
Molecular mass chemrof:molecular_mass 100.121
Monoisotopic mass chemrof:monoisotopic_mass 100.063663
SMILES string chemrof:smiles_string O=C1NCCCN1

Known URLs

9

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=1852-17-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.858 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9051820 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=21315 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL12593 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V5992LV6AG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J199.666E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74615 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72502840 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d8baa70a-f51e-43c7-8602-439839d9d07e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cf157c33-6ba6-4001-af15-fb3cd7461d41 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6cf0909f-b0f3-4f25-841e-c595a144152c Environmental → Air → Indoor EF 3.1 kg 2
f5224942-d57e-4b02-901b-c580d551e6d4 Environmental → Air → Long-term EF 3.1 kg 0
d72dea8b-7de1-48ad-bba2-11e588717a03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a932f026-f590-4e36-aec0-27d26596964f Environmental → Air → Unknown EF 3.1 kg 2
60f129e4-9c52-4257-b94c-7ed561398d78 Environmental → Ground → Agricultural EF 3.1 kg 2
f30fb939-b426-40fd-9cf7-9686b2c0b7cb Environmental → Ground → Non-agricultural EF 3.1 kg 2
29c8c746-15bc-4ff7-9343-fc8dda9fb5ba Environmental → Ground → Unknown EF 3.1 kg 2
4ff1bbef-0691-4279-9548-090f0097c062 Environmental → Water → Long-term EF 3.1 kg 0
4c0a454b-b636-4909-936b-988acd8a8f56 Environmental → Water → Ocean EF 3.1 kg 2
eb53bdfb-c0a8-4152-847f-317cbe7702d4 Environmental → Water → Surface water EF 3.1 kg 2
9e5706f3-1dcc-40f8-99db-f56ae904c17e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b529b895bf852be5",
  "prefLabel": [
    {
      "@value": "Tetrahydro-2(1h)-pyrimidinone",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
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      "@value": "1,3-Diazinan-2-one",
      "@language": "en",
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    {
      "@value": "1,3-Propanediamine cyclic urea",
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    },
    {
      "@value": "2(1H)-Pyrimidinone, tetrahydro-",
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