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CHEBI:83445 - 2-isopropyl-6-methyl-4-pyrimidinone

ChEBI IDCHEBI:83445
ChEBI Name2-isopropyl-6-methyl-4-pyrimidinone
Stars
DefinitionA pyrimidone that is pyrimidin-4(1H)-one substituted by a methyl group at position 6 and an isopropyl group at position 2. It is a metabolite of diazinon.
Last Modified4 November 2014
DownloadsMolfile
FormulaC8H12N2O
Net Charge0
Average Mass152.197
Monoisotopic Mass152.09496
SMILESCc1cc(=O)nc(C(C)C)n1
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKeyAJPIUNPJBFBUKK-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
2-isopropyl-6-methyl-4-pyrimidinone (CHEBI:83445) has role marine xenobiotic metabolite (CHEBI:83399)
2-isopropyl-6-methyl-4-pyrimidinone (CHEBI:83445) is a pyrimidone (CHEBI:38337)
2-isopropyl-6-methyl-4-pyrimidinone (CHEBI:83445) is tautomer of 2-isopropyl-6-methylpyrimidin-4-ol (CHEBI:38629)
Incoming Relation(s)
2-isopropyl-6-methylpyrimidin-4-ol (CHEBI:38629) is tautomer of 2-isopropyl-6-methyl-4-pyrimidinone (CHEBI:83445)
IUPAC Name 
6-methyl-2-(propan-2-yl)pyrimidin-4(1H)-one
Synonym  Source
pyrimidinolChEBI
Registry NumbersSources
Reaxys:13387839Reaxys