4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0415 |
| Compound Name: | 4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(nc(n1)SC)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.2206 |
| logD: | 3.1623 |
| logSw: | -3.0489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.918 |
| InChI Key: | YVNGWADGOYZLII-UHFFFAOYSA-N |