ethyl 4-amino-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0049 |
| Compound Name: | ethyl 4-amino-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C13 H18 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3136 |
| logD: | 1.3136 |
| logSw: | -2.0944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.991 |
| InChI Key: | IRDCJISOIKKDHH-UHFFFAOYSA-N |