ethyl 2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
ethyl 2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0054 |
| Compound Name: | ethyl 2-({2-[(adamantan-1-yl)amino]-2-oxoethyl}sulfanyl)-4-aminopyrimidine-5-carboxylate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | [H][C@]12C[C@]3([H])C[C@]([H])(C1)C[C@](C2)(C3)NC(CSc1ncc(C(=O)OCC)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1024 |
| logD: | 3.1023 |
| logSw: | -3.3594 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.399 |
| InChI Key: | CJOCZWAHPDGRME-UHFFFAOYSA-N |