6-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-[1-methyl-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)-1-methyl-5-[1-methyl-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)-1-methyl-5-[1-methyl-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: | D338-0114 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-[1-methyl-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: | 474.43 |
| Molecular Formula: | C23 H18 N6 O6 |
| Smiles: | CN1C(=C(C(NC1=O)=O)c1c2C(NC(N(C)c2[nH]c1c1ccc2c(c1)OCO2)=O)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2194 |
| logD: | 2.2153 |
| logSw: | -3.0687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.777 |
| InChI Key: | UPXYLLNBCLTZQU-UHFFFAOYSA-N |