IUPAC name
O-[2-(acetylethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
SMILES
CCN(C(=O)C)c1nc(C)cc(n1)OP(=S)(OCC)OCC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
primidophos
IUPAC name
O-[2-(acetylethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
SMILES
CCN(C(=O)C)c1nc(C)cc(n1)OP(=S)(OCC)OCC
INCHI
InChI=1S/C13H22N3O4PS/c1-6-16(11(5)17)13-14-10(4)9-12(15-13)20-21(22,18-7-2)19-8-3/h9H,6-8H2,1-5H3
FORMULA
C13H22N3O4PS
Common name
primidophos
IUPAC name
O-[2-(acetylethylamino)-6-methyl-4-pyrimidinyl] O,O-diethyl phosphorothioate
Molecular weight
347.370
clogP
2.858
clogS
-3.342
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
115.68
Number of Rings
1
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00228 | N-ethylacetamide |
|
C(=O)(NCC)C | 0.0089 |
| 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 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
| FDBF05350 | N-(4-methylpyrimidin-2-yl)acetamide |
|
N(C(=O)C)c1nccc(n1)C | 0.0003 |
| FDBF05351 | N-ethyl-N-(4-methylpyrimidin-2-yl)acetamide |
|
CCN(C(=O)C)c1nccc(n1)C | 0.0003 |
9 ,
1
