4-(4-chlorophenyl)-6-{[3-(dimethylamino)propyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-{[3-(dimethylamino)propyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-{[3-(dimethylamino)propyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0340 |
| Compound Name: | 4-(4-chlorophenyl)-6-{[3-(dimethylamino)propyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 361.89 |
| Molecular Formula: | C17 H20 Cl N5 S |
| Smiles: | CN(C)CCCNc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.6626 |
| logD: | 1.7269 |
| logSw: | -4.749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.94 |
| InChI Key: | JLBVRFFFKVEBOI-UHFFFAOYSA-N |