Responsive image

Common name


pyramat

Formula


C11H17N3O2

CAS


2532-49-2

IUPAC name


6-methyl-2-propyl-4-pyrimidinyl N,N-dimethylcarbamate

SMILES


CCCC1=NC(=CC(=N1)OC(=O)N(C)C)C

INCHI


InChI=1S/C11H17N3O2/c1-5-6-9-12-8(2)7-10(13-9)16-11(15)14(3)4/h7H,5-6H2,1-4H3

Physicochemical Properties

Molecular weight:

223.272

Molar refractivity:

55.389

Num. bonds:

15

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

15

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:

15.07

Lipophilicity

ALogP:

1.224

MLogP:

1.57

XLogP:

0.277

Water Solubility

CLogS:

-2.893

Geometric

PPSA-1:

334.197

PNSA-1:

214.804

RPCS:

2.174

RNCS:

6.852

THSA:

460.469

TPSA:

88.532

RHSA:

0.839

RPSA:

0.161

Electrostatic

RPCG:

0.262

RNCG:

0.202

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

4

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

81.03
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.73

QEI:

0.69

Gau:

5.965