2-(4-benzylpiperazin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
2-(4-benzylpiperazin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0145 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-N~4~-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C20 H23 N7 O3 |
| Smiles: | C(c1ccco1)Nc1c(c(N)nc(n1)N1CCN(CC1)Cc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2455 |
| logD: | 3.1379 |
| logSw: | -3.3453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.829 |
| InChI Key: | OOTGNSZYZSBPBO-UHFFFAOYSA-N |