N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Chemical Structure Depiction of
N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Compound characteristics
| Compound ID: | G786-0122 |
| Compound Name: | N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine |
| Molecular Weight: | 366.38 |
| Molecular Formula: | C18 H18 N6 O3 |
| Smiles: | COc1ccc(cc1)Nc1c(c(N)nc(NCc2ccccc2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5684 |
| logD: | 3.5679 |
| logSw: | -3.864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.751 |
| InChI Key: | IKWBDNYYZPZFPC-UHFFFAOYSA-N |