6-bromo-2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
6-bromo-2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
6-bromo-2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8019-7025 |
| Compound Name: | 6-bromo-2-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 379.24 |
| Molecular Formula: | C13 H11 Br N6 O S |
| Smiles: | C(C1NC(c2cc(ccc2N=1)[Br])=O)Sc1nc(cc(N)n1)N |
| Stereo: | ACHIRAL |
| logP: | 1.5934 |
| logD: | 1.5819 |
| logSw: | -2.6571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 93.466 |
| InChI Key: | VRARHYRJAKYFBA-UHFFFAOYSA-N |