2-(azepan-1-yl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile
Chemical Structure Depiction of
2-(azepan-1-yl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile
2-(azepan-1-yl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | C161-0195 |
| Compound Name: | 2-(azepan-1-yl)-4-hydroxy-6-[4-(propan-2-yl)phenyl]pyrimidine-5-carbonitrile |
| Molecular Weight: | 336.44 |
| Molecular Formula: | C20 H24 N4 O |
| Smiles: | CC(C)c1ccc(cc1)c1c(C#N)c(nc(n1)N1CCCCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 5.0252 |
| logD: | 1.6488 |
| logSw: | -4.6526 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.036 |
| InChI Key: | VQNMQIXGXWWEHL-UHFFFAOYSA-N |