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Common name


pirimicarb

Formula


C11H18N4O2

CAS


23103-98-2

IUPAC name


2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl N,N-dimethylcarbamate

SMILES


CNC(=O)O/N=C(/C(=O)N(C)C)SC

INCHI


InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)

Physicochemical Properties

Molecular weight:

238.286

Molar refractivity:

53.013

Num. bonds:

13

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

13.07

Lipophilicity

ALogP:

0.316

MLogP:

1.46

XLogP:

0.37

Water Solubility

CLogS:

-2.345

Geometric

PPSA-1:

313.254

PNSA-1:

168.788

RPCS:

5.089

RNCS:

6.428

THSA:

388.552

TPSA:

93.489

RHSA:

0.806

RPSA:

0.194

Electrostatic

RPCG:

0.258

RNCG:

0.195

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.462

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

4

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

81.03
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.929

QEI:

0.695

Gau:

5.902