Molecule ID: 135444498

IUPAC Name: 4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

Description: The molecule is a 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. It has a role as a marine xenobiotic metabolite. It is a tautomer of a 2-isopropyl-6-methylpyrimidin-4-ol.

SMILES: Cc1cc(O)nc(C(C)C)n1

SELFIES: [C][C][=C][C][Branch1][C][O][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#Branch2]

InChI: InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)

Molecular Properties:
- Polar Surface Area: 41.5 Ų
- LogP: 0.7