6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0370 |
| Compound Name: | 6-(2-amino-4,5-dimethylphenyl)-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | Cc1cc(c(cc1C)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O)N |
| Stereo: | ACHIRAL |
| logP: | 3.8994 |
| logD: | 3.8994 |
| logSw: | -4.2836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.964 |
| InChI Key: | RZHQIHGRZUWIOH-UHFFFAOYSA-N |