2-[(4,7-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
2-[(4,7-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4582-0068 |
| Compound Name: | 2-[(4,7-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C22 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(N=C(N1)Nc1nc(C)c2ccc(C)cc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9915 |
| logD: | 4.1006 |
| logSw: | -4.7515 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.689 |
| InChI Key: | YKUSHFGLWXCCAP-UHFFFAOYSA-N |