1-(3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}phenyl)ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}phenyl)ethan-1-one--hydrogen chloride (1/1)
1-(3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}phenyl)ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D482-1856 |
| Compound Name: | 1-(3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}phenyl)ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 353.85 |
| Molecular Formula: | C20 H19 N3 O |
| Salt: | HCl |
| Smiles: | CC(c1cccc(c1)Nc1cc(c2ccc(C)cc2)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8186 |
| logD: | 3.7297 |
| logSw: | -4.593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.457 |
| InChI Key: | ITZUMYDADJBUBY-UHFFFAOYSA-N |