4-[bis(2-hydroxyethyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[bis(2-hydroxyethyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-[bis(2-hydroxyethyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0408 |
| Compound Name: | 4-[bis(2-hydroxyethyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(nc(n1)SC)N(CCO)CCO |
| Stereo: | ACHIRAL |
| logP: | 2.9056 |
| logD: | 2.9056 |
| logSw: | -2.866 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.575 |
| InChI Key: | YDRPUPRVCZUCNY-UHFFFAOYSA-N |