N~4~-(3-methylphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Chemical Structure Depiction of
N~4~-(3-methylphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
N~4~-(3-methylphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Compound characteristics
| Compound ID: | G786-0038 |
| Compound Name: | N~4~-(3-methylphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine |
| Molecular Weight: | 300.32 |
| Molecular Formula: | C14 H16 N6 O2 |
| Smiles: | Cc1cccc(c1)Nc1c(c(N)nc(NCC=C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.104 |
| logD: | 3.1039 |
| logSw: | -3.2348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.32 |
| InChI Key: | VLDWVFPIOUDELB-UHFFFAOYSA-N |