IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
SMILES
CCN(CC)c1nc(C)cc(n1)OP(=S)(OCC)OCC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pirimiphos-ethyl
IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
SMILES
CCN(CC)c1nc(C)cc(n1)OP(=S)(OCC)OCC
INCHI
InChI=1S/C13H24N3O3PS/c1-6-16(7-2)13-14-11(5)10-12(15-13)19-20(21,17-8-3)18-9-4/h10H,6-9H2,1-5H3
FORMULA
C13H24N3O3PS
Common name
pirimiphos-ethyl
IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
Molecular weight
333.387
clogP
3.277
clogS
-3.807
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
98.61
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF03060 | 4-methylpyrimidine |
|
n1cnccc1C | 0.0038 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
| FDBF05336 | 4-methylpyrimidin-2-amine |
|
Nc1nccc(n1)C | 0.0017 |
| FDBF05338 | N,N-diethyl-4-methylpyrimidin-2-amine |
|
CCN(CC)c1nccc(n1)C | 0.0010 |
| FDBF05343 | 2-(ethylamino)-6-methyl-5H-pyrimidin-4-one |
|
N(CC)C1=NC(=O)CC(=N1)C | 0.0007 |
| FDBF05344 | 2-(diethylamino)-6-methyl-5H-pyrimidin-4-one |
|
CCN(CC)C1=NC(=O)CC(=N1)C | 0.0007 |
12 ,
2
