ethyl 4-amino-2-{[2-oxo-2-(propylamino)ethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-oxo-2-(propylamino)ethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-oxo-2-(propylamino)ethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E540-0064 |
| Compound Name: | ethyl 4-amino-2-{[2-oxo-2-(propylamino)ethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C12 H18 N4 O3 S |
| Smiles: | CCCNC(CSc1ncc(C(=O)OCC)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.018 |
| logD: | 1.018 |
| logSw: | -2.2275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.817 |
| InChI Key: | ACEMEBHNHRYFFN-UHFFFAOYSA-N |