2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y021-1965 |
| Compound Name: | 2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C12 H12 N6 O S |
| Smiles: | Cc1ccnc(n1)SCC1=CC(n2c(N1)nc(C)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8748 |
| logD: | -1.3935 |
| logSw: | -2.1818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.485 |
| InChI Key: | MSGITHGCHYBEEC-UHFFFAOYSA-N |