5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
Compound ID: | 8018-2451 |
Compound Name: | 5-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
Molecular Weight: | 424.37 |
Molecular Formula: | C19 H16 N6 O6 |
Smiles: | CN1C(=C(C(NC1=O)=O)c1c2C(NC(N(C)c2[nH]c1c1ccc2c(c1)OCO2)=O)=O)N |
Stereo: | ACHIRAL |
logP: | 0.6092 |
logD: | 0.6088 |
logSw: | -2.0937 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 5 |
Polar surface area: | 129.6 |
InChI Key: | YEXRCSGYTZNRSJ-UHFFFAOYSA-N |