Molecule ID: 34526

IUPAC Name: 4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine

Description: The molecule is an organic thiophosphate that is O,O-dimethyl O-pyrimidin-4-yl phosphorothioate substituted by a methyl group at position 6 and a diethylamino group at position 2. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical, an insecticide and an environmental contaminant. It is an organic thiophosphate and an aminopyrimidine. It derives from a 2-diethylamino-6-methylpyrimidin-4(1H)-one.

SMILES: CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1

SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=N][Ring1][=C]

InChI: InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3

Molecular Properties:
- Polar Surface Area: 88.8 Ų
- LogP: 4.2