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Common name


pirimiphos-ethyl

Formula


C13H24N3O3PS

CAS


23505-41-1

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

Physicochemical Properties

Molecular weight:

333.387

Molar refractivity:

88.964

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

21.08

Lipophilicity

ALogP:

1.995

MLogP:

2.01

XLogP:

3.517

Water Solubility

CLogS:

-3.807

Geometric

PPSA-1:

621.106

PNSA-1:

129.124

RPCS:

0.38

RNCS:

1.934

THSA:

705.888

TPSA:

44.342

RHSA:

0.941

RPSA:

0.059

Electrostatic

RPCG:

0.172

RNCG:

0.178

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.429

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

98.61
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.523

QEI:

0.721

Gau:

5.803