5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-ethylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-ethylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-ethylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | D338-0197 |
| Compound Name: | 5-[2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-ethylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C22 H18 N6 O4 |
| Smiles: | CCc1ccc(cc1)c1c(C2=C(NC(NC2=O)=O)n2cccc2)c2C(NC(Nc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3526 |
| logD: | 2.1554 |
| logSw: | -2.8297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 112.522 |
| InChI Key: | GBNKEMKAEIJYNA-UHFFFAOYSA-N |