4-(4-chlorophenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0270 |
| Compound Name: | 4-(4-chlorophenyl)-6-{[2-(dimethylamino)ethyl]amino}-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 347.87 |
| Molecular Formula: | C16 H18 Cl N5 S |
| Smiles: | CN(C)CCNc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.6563 |
| logD: | 2.6681 |
| logSw: | -4.7504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.94 |
| InChI Key: | PWBQMZAQWYYDCJ-UHFFFAOYSA-N |