2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol
2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | G786-0168 |
| Compound Name: | 2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol |
| Molecular Weight: | 296.33 |
| Molecular Formula: | C12 H20 N6 O3 |
| Smiles: | C1CCCN(CC1)c1nc(c(c(NCCO)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 1.8849 |
| logD: | 1.8849 |
| logSw: | -2.0283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.639 |
| InChI Key: | XVOCSLCSCFRPIG-UHFFFAOYSA-N |