N~4~-(2,5-dimethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Chemical Structure Depiction of
N~4~-(2,5-dimethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
N~4~-(2,5-dimethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Compound characteristics
| Compound ID: | G786-0180 |
| Compound Name: | N~4~-(2,5-dimethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C16 H20 N6 O4 |
| Smiles: | COc1ccc(c(c1)Nc1c(c(N)nc(n1)N1CCCC1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2765 |
| logD: | 3.2759 |
| logSw: | -3.6351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.06 |
| InChI Key: | TYAVCSUVXLKJDV-UHFFFAOYSA-N |