6-(2H-1,3-benzodioxol-5-yl)-5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
6-(2H-1,3-benzodioxol-5-yl)-5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | D338-0113 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C21 H14 N6 O6 |
| Smiles: | C1Oc2ccc(cc2O1)c1c(C2=C(NC(NC2=O)=O)n2cccc2)c2C(NC(Nc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3185 |
| logD: | 1.1213 |
| logSw: | -2.1812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 129.637 |
| InChI Key: | CLIOXPSDTNJZAT-UHFFFAOYSA-N |