ethyl 4-amino-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0245 |
| Compound Name: | ethyl 4-amino-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C15 H22 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(N1CCC(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8629 |
| logD: | 1.8629 |
| logSw: | -2.2984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.625 |
| InChI Key: | BJKYFDRTXIRJHW-UHFFFAOYSA-N |