Molecule ID: 13754

IUPAC Name: diethyl (6-methyl-2-propan-2-ylpyrimidin-4-yl) phosphate

Description: The molecule is an organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon. It has a role as a marine xenobiotic metabolite. It is an organic phosphate and a member of pyrimidines.

SMILES: CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1

SELFIES: [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#Branch2]

InChI: InChI=1S/C12H21N2O4P/c1-6-16-19(15,17-7-2)18-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3

Molecular Properties:
- Polar Surface Area: 70.5 Ų
- LogP: 2.1