CAS 1105191-19-2

3-(4-Fluorophenyl)-2,3,4,5-tetrahydro-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

Description:

3-(4-Fluorophenyl)-2,3,4,5-tetrahydro-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is a complex organic compound characterized by its unique bicyclic structure, which incorporates both pyrrole and pyrimidine moieties. The presence of a fluorophenyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the influence of fluorine on biological activity and lipophilicity. The compound features multiple functional groups, including carboxylic acid and diketone functionalities, which may contribute to its reactivity and solubility properties. Its tetrahydro structure indicates that it is a saturated derivative, which can affect its stability and interaction with biological targets. The specific arrangement of atoms and substituents in this compound may also influence its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME). Overall, this compound represents a class of heterocyclic compounds that are of interest for their potential therapeutic applications and biological activities.

Formula: C₁₄H₁₀FN₃O₄

InChI: InChI=1S/C14H10FN3O4/c1-17-6-9(13(20)21)10-11(17)12(19)18(14(22)16-10)8-4-2-7(15)3-5-8/h2-6H,1H3,(H,16,22)(H,20,21)

InChI key: InChIKey=KVIMCXXJMJZCHK-UHFFFAOYSA-N

SMILES: O=C1C2=C(C(C(O)=O)=CN2C)NC(=O)N1C3=CC=C(F)C=C3

Synonyms:

• 1H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 3-(4-fluorophenyl)-2,3,4,5-tetrahydro-5-methyl-2,4-dioxo-
• 3-(4-Fluorophenyl)-2,3,4,5-tetrahydro-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

3-(4-fluorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

CAS: 1105191-19-2

Formula: C₁₄H₁₀FN₃O₄

Purity: 95.0%

Molecular weight: 303.249

Ref: 10-F495279