5-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | 8018-4612 |
| Compound Name: | 5-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 410.34 |
| Molecular Formula: | C18 H14 N6 O6 |
| Smiles: | C1COc2cc(ccc2O1)c1c(C2=C(N)NC(NC2=O)=O)c2C(NC(Nc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.1802 |
| logD: | -1.1966 |
| logSw: | -1.9647 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 7 |
| Polar surface area: | 145.589 |
| InChI Key: | YCPJCTLIINFXQW-UHFFFAOYSA-N |