methyl 7-[4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl]-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-[4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl]-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-[4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl]-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y021-1307 |
| Compound Name: | methyl 7-[4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl]-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 385.45 |
| Molecular Formula: | C17 H19 N7 O2 S |
| Smiles: | Cc1c(cnc(n1)N1CCCC1)c1c(cnc2nc(nn12)SC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.029 |
| logD: | 2.029 |
| logSw: | -2.2448 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.39 |
| InChI Key: | CXYKIHYOLVMSFX-UHFFFAOYSA-N |