4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(1-phenylethyl)amino]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(1-phenylethyl)amino]pyrimidine-5-carbonitrile
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(1-phenylethyl)amino]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0290 |
| Compound Name: | 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(1-phenylethyl)amino]pyrimidine-5-carbonitrile |
| Molecular Weight: | 380.9 |
| Molecular Formula: | C20 H17 Cl N4 S |
| Smiles: | CC(c1ccccc1)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3802 |
| logD: | 5.3802 |
| logSw: | -6.4566 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.124 |
| InChI Key: | RNXCACIQWFMABA-ZDUSSCGKSA-N |