1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0101 |
| Compound Name: | 1,3-dimethyl-6-[2-(methylamino)-5-nitrophenyl]-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | Cc1cccc(c1)c1c2C(N(C)C(N(C)c2cn1c1cc(ccc1NC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7349 |
| logD: | 3.7349 |
| logSw: | -4.0451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.827 |
| InChI Key: | OBVRUCLOJYSPPC-UHFFFAOYSA-N |