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Common name


dicyclanil

Formula


C8H10N6

CAS


112636-83-6

IUPAC name


4,6-diamino-2-(cyclopropylamino)-5-pyrimidinecarbonitrile

SMILES


C1CC1N=c1[nH]c(c(C#N)c(=N)[nH]1)N

INCHI


InChI=1S/C8H10N6/c9-3-5-6(10)13-8(14-7(5)11)12-4-1-2-4/h4H,1-2H2,(H5,10,11,12,13,14)

Physicochemical Properties

Molecular weight:

190.205

Molar refractivity:

43.979

Num. bonds:

15

Num. double bonds:

3

Num. triple bonds:

1

Num. heavy atoms:

14

Num. nitrogen atom:

6

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

4

Complexity of system:

43.06

Lipophilicity

ALogP:

-2.141

MLogP:

1.68

XLogP:

-1.411

Water Solubility

CLogS:

-2.085

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.133

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

113.64
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.298

QEI:

0.156

Gau:

2.553