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Common name


pirimetaphos

Formula


C11H21N4O3P

CAS


31377-69-2

IUPAC name


2-(diethylamino)-6-methyl-4-pyrimidinyl methyl methylphosphoramidate

SMILES


CCN(CC)c1nc(C)cc(n1)OP(=O)(NC)OC

INCHI


InChI=1S/C11H21N4O3P/c1-6-15(7-2)11-13-9(3)8-10(14-11)18-19(16,12-4)17-5/h8H,6-7H2,1-5H3,(H,12,16)

Physicochemical Properties

Molecular weight:

288.283

Molar refractivity:

73.535

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

4

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

1

Complexity of system:

19.08

Lipophilicity

ALogP:

0.052

MLogP:

1.79

XLogP:

0.524

Water Solubility

CLogS:

-3.128

Geometric

PPSA-1:

495.293

PNSA-1:

158.921

RPCS:

0.097

RNCS:

2.41

THSA:

576.704

TPSA:

77.51

RHSA:

0.882

RPSA:

0.118

Electrostatic

RPCG:

0.221

RNCG:

0.167

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.368

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

86.39
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.352

QEI:

0.497

Gau:

5.428