1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | 8017-2361 |
| Compound Name: | 1,3-dimethyl-6,7-dinitro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione |
| Molecular Weight: | 269.17 |
| Molecular Formula: | C8 H7 N5 O6 |
| Smiles: | CN1C(c2c(c(c([nH]2)[N+]([O-])=O)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5762 |
| logD: | -1.6783 |
| logSw: | -0.8381 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.088 |
| InChI Key: | SWKMIZVYJHRLFU-UHFFFAOYSA-N |