2-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzonitrile--hydrogen chloride (1/1)
2-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D482-1857 |
| Compound Name: | 2-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C19 H16 N4 |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)c1cc(Nc2ccccc2C#N)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7682 |
| logD: | 3.6794 |
| logSw: | -4.5652 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.989 |
| InChI Key: | ZJAISTRCSLPBEH-UHFFFAOYSA-N |