2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8016-5418 |
| Compound Name: | 2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 300.34 |
| Molecular Formula: | C13 H12 N6 O S |
| Smiles: | C(C1NC(c2ccccc2N=1)=O)Sc1nc(cc(N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 0.7961 |
| logD: | 0.7945 |
| logSw: | -2.5201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 93.466 |
| InChI Key: | OAUWTQVFKNVNDA-UHFFFAOYSA-N |