2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
Compound characteristics
| Compound ID: | D288-0021 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C19 H22 N4 O2 S |
| Smiles: | CC(C)C(=O)OCCNc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.7573 |
| logD: | 4.7573 |
| logSw: | -4.5763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.122 |
| InChI Key: | LOKQVVANCMHMBK-UHFFFAOYSA-N |