5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | D338-0097 |
| Compound Name: | 5-[1,3-dimethyl-2,4-dioxo-6-(1H-pyrrol-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]-6-(3-fluoro-4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 506.49 |
| Molecular Formula: | C25 H23 F N6 O5 |
| Smiles: | CN1C(=C(C(N(C)C1=O)=O)c1c2C(N(C)C(N(C)c2[nH]c1c1ccc(c(c1)F)OC)=O)=O)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1513 |
| logD: | 3.1513 |
| logSw: | -3.3967 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.464 |
| InChI Key: | OZRIQJHEKXFONA-UHFFFAOYSA-N |