2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 6809-0222 |
| Compound Name: | 2-[(4,8-dimethylquinazolin-2-yl)amino]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C18 H17 N7 O S2 |
| Smiles: | Cc1cccc2c(C)nc(NC3NC(C=C(CSc4nnc(C)s4)N=3)=O)nc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0224 |
| logD: | 2.8169 |
| logSw: | -3.1899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.131 |
| InChI Key: | XXCQJQZJQSUAHO-UHFFFAOYSA-N |