IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate
SMILES
CCN(CC)c1nc(C)cc(n1)OP(=S)(OC)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pirimiphos-methyl
IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate
SMILES
CCN(CC)c1nc(C)cc(n1)OP(=S)(OC)OC
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
FORMULA
C11H20N3O3PS
Common name
pirimiphos-methyl
IUPAC name
O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate
Molecular weight
305.334
clogP
2.503
clogS
-3.013
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
98.61
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF03060 | 4-methylpyrimidine |
|
n1cnccc1C | 0.0038 |
| FDBF04856 | 6-methyl-5H-pyrimidin-4-one |
|
C1(=O)N=CN=C(C1)C | 0.0024 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF05336 | 4-methylpyrimidin-2-amine |
|
Nc1nccc(n1)C | 0.0017 |
| FDBF05337 | N-ethyl-4-methylpyrimidin-2-amine |
|
CCNc1nccc(n1)C | 0.0010 |
| 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 |
11 ,
2
