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Common name


cyprodinil

Formula


C14H15N3

CAS


121552-61-2

IUPAC name


4-cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine

SMILES


Cc1cc(C2CC2)nc(n1)Nc1ccccc1

INCHI


InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)

Physicochemical Properties

Molecular weight:

225.127

Molar refractivity:

73.215

Num. bonds:

19

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

3

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

89.03

Lipophilicity

ALogP:

0.967

MLogP:

2.67

XLogP:

1.064

Water Solubility

CLogS:

-4.307

Geometric

PPSA-1:

404.811

PNSA-1:

169.882

RPCS:

2.348

RNCS:

2.573

THSA:

521.58

TPSA:

53.113

RHSA:

0.908

RPSA:

0.092

Electrostatic

RPCG:

0.192

RNCG:

0.212

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.158

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

37.81
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.835

QEF:

0.609

Gau:

6.11413