2-(4-benzylpiperidin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
2-(4-benzylpiperidin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0144 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1nc(c(c(NCc2ccco2)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 4.8998 |
| logSw: | -5.022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.017 |
| InChI Key: | VKAIUNPRNDLQAE-UHFFFAOYSA-N |