5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | 8018-0963 |
| Compound Name: | 5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 452.43 |
| Molecular Formula: | C21 H20 N6 O6 |
| Smiles: | CN1C(=C(C(N(C)C1=O)=O)c1c2C(N(C)C(N(C)c2[nH]c1c1ccc2c(c1)OCO2)=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | 1.409 |
| logD: | 1.409 |
| logSw: | -2.1409 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.772 |
| InChI Key: | BNLIUHFSOLKKQV-UHFFFAOYSA-N |