2-(adamantan-1-yl)-N-(4-bromo-3-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
2-(adamantan-1-yl)-N-(4-bromo-3-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(adamantan-1-yl)-N-(4-bromo-3-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
| Compound ID: | C301-7489 |
| Compound Name: | 2-(adamantan-1-yl)-N-(4-bromo-3-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Molecular Weight: | 452.4 |
| Molecular Formula: | C23 H26 Br N5 |
| Smiles: | Cc1cc(ccc1[Br])Nc1cc(C)nc2nc(C34CC5CC(CC(C5)C4)C3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 6.7396 |
| logD: | 6.7184 |
| logSw: | -5.8563 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.874 |
| InChI Key: | KPEZRDLZAUTJTD-UHFFFAOYSA-N |