5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(2,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(2,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(2,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | D338-0205 |
| Compound Name: | 5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(2,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C26 H26 N6 O4 |
| Smiles: | Cc1ccc(c(C)c1)c1c(C2=C(N(C)C(N(C)C2=O)=O)n2cccc2)c2C(N(C)C(N(C)c2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9339 |
| logD: | 3.9339 |
| logSw: | -4.0319 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.834 |
| InChI Key: | GPINRGOZOAVNGE-UHFFFAOYSA-N |