6-(3-fluoro-4-methoxyphenyl)-1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
6-(3-fluoro-4-methoxyphenyl)-1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
6-(3-fluoro-4-methoxyphenyl)-1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
Compound ID: | D338-0096 |
Compound Name: | 6-(3-fluoro-4-methoxyphenyl)-1-methyl-5-[1-methyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
Molecular Weight: | 478.44 |
Molecular Formula: | C23 H19 F N6 O5 |
Smiles: | CN1C(=C(C(NC1=O)=O)c1c2C(NC(N(C)c2[nH]c1c1ccc(c(c1)F)OC)=O)=O)n1cccc1 |
Stereo: | ACHIRAL |
logP: | 2.4075 |
logD: | 2.4034 |
logSw: | -3.1731 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 104.292 |
InChI Key: | URCZNYYAYDDKKB-UHFFFAOYSA-N |