2-[(4,6-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-[(4,6-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
2-[(4,6-dimethylquinazolin-2-yl)amino]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 4802-0048 |
| Compound Name: | 2-[(4,6-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)c2cc(C)ccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8756 |
| logD: | 3.9848 |
| logSw: | -4.6641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.689 |
| InChI Key: | IFYAVFYTUBXQOF-UHFFFAOYSA-N |