2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile

• CAT Number: R056809
• CAS Number: 865758-96-9
• Molecular Formula: C13H10ClN3O2
• Molecular Weight: 275.69
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
• InChI: InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3
• InChIKey: BVUJISIVAHYNLI-UHFFFAOYSA-N
• SMILES: CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile(CAT: R056809) is a heterocyclic aromatic compound featuring a barbituric acid-derived pyrimidine ring substituted with a benzonitrile moiety. Its structure combines nucleobase-like elements with a nitrile-functionalized aromatic system, making it a valuable scaffold in medicinal chemistry. This compound is commonly used in the development of antiviral, anticancer, and enzyme-inhibitory agents, where the fused functionalities promote biological activity and target interaction. The presence of electron-withdrawing groups enhances its chemical reactivity and bioavailability potential. It is particularly suited for structure–activity relationship (SAR) studies and lead optimization in pharmaceutical research programs.