2-(4-benzylpiperazin-1-yl)-5-nitro-N~4~-[(oxolan-2-yl)methyl]pyrimidine-4,6-diamine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-5-nitro-N~4~-[(oxolan-2-yl)methyl]pyrimidine-4,6-diamine
2-(4-benzylpiperazin-1-yl)-5-nitro-N~4~-[(oxolan-2-yl)methyl]pyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0151 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-5-nitro-N~4~-[(oxolan-2-yl)methyl]pyrimidine-4,6-diamine |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C20 H27 N7 O3 |
| Smiles: | C1CC(CNc2c(c(N)nc(n2)N2CCN(CC2)Cc2ccccc2)[N+]([O-])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3497 |
| logD: | 2.2421 |
| logSw: | -2.6511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.734 |
| InChI Key: | GESAMZKFYPTQDZ-MRXNPFEDSA-N |