2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate
Compound characteristics
| Compound ID: | D288-0101 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl pyridine-4-carboxylate |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCOC(c2ccncc2)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.4461 |
| logD: | 4.4455 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.279 |
| InChI Key: | SJWDOEUUBCQGMP-UHFFFAOYSA-N |