N~4~-(3,4-dimethylphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
Chemical Structure Depiction of
N~4~-(3,4-dimethylphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
N~4~-(3,4-dimethylphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine
Compound characteristics
| Compound ID: | G786-0118 |
| Compound Name: | N~4~-(3,4-dimethylphenyl)-N~2~,N~2~-diethyl-5-nitropyrimidine-2,4,6-triamine |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C16 H22 N6 O2 |
| Smiles: | CCN(CC)c1nc(c(c(Nc2ccc(C)c(C)c2)n1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 4.5643 |
| logD: | 4.5616 |
| logSw: | -4.5969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.501 |
| InChI Key: | MTPBRJYYIUBRIC-UHFFFAOYSA-N |