6-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | D338-0101 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-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: | 462.42 |
| Molecular Formula: | C22 H18 N6 O6 |
| Smiles: | COc1ccc(cc1OC)c1c(C2=C(NC(NC2=O)=O)n2cccc2)c2C(NC(Nc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0203 |
| logD: | 0.8231 |
| logSw: | -2.0836 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 127.783 |
| InChI Key: | QGIQFSNFCWWDFT-UHFFFAOYSA-N |