2-(adamantan-1-yl)-N-(2-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
2-(adamantan-1-yl)-N-(2-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(adamantan-1-yl)-N-(2-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
| Compound ID: | C301-7513 |
| Compound Name: | 2-(adamantan-1-yl)-N-(2-chloro-4-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Molecular Weight: | 407.95 |
| Molecular Formula: | C23 H26 Cl N5 |
| Smiles: | Cc1ccc(c(c1)[Cl])Nc1cc(C)nc2nc(C34CC5CC(CC(C5)C4)C3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 6.5622 |
| logD: | 6.541 |
| logSw: | -6.4358 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.176 |
| InChI Key: | JUNYGEYUNVWHKW-UHFFFAOYSA-N |