1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-methylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-methylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-methylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
Compound ID: | D338-0034 |
Compound Name: | 1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(4-methylphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
Molecular Weight: | 444.45 |
Molecular Formula: | C23 H20 N6 O4 |
Smiles: | Cc1ccc(cc1)c1c(C2=C(N(C)C(NC2=O)=O)n2cccc2)c2C(NC(N(C)c2[nH]1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7461 |
logD: | 2.742 |
logSw: | -3.165 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 96.661 |
InChI Key: | WMKMLCOQTNOPGW-UHFFFAOYSA-N |