CAS 1227270-62-3

2-[5-(1,3-Dioxolan-2-yl)-2-pyridinyl]-1,6-dihydro-6-oxo-5-pyrimidinecarbonitrile

Description:

The chemical substance known as 2-[5-(1,3-Dioxolan-2-yl)-2-pyridinyl]-1,6-dihydro-6-oxo-5-pyrimidinecarbonitrile, with the CAS number 1227270-62-3, is a heterocyclic compound characterized by its complex structure that includes both pyridine and pyrimidine rings. This compound features a dioxolane moiety, which contributes to its potential solubility and reactivity. The presence of a carbonitrile group indicates that it may exhibit notable electronic properties, potentially making it useful in various chemical reactions or as a precursor in synthetic pathways. The oxo group in the structure suggests that it may participate in hydrogen bonding or act as a reactive site in further chemical transformations. Due to its unique combination of functional groups, this compound may possess interesting biological activities, making it a candidate for pharmaceutical research. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₃H₁₀N₄O₃

InChI: InChI=1S/C13H10N4O3/c14-5-9-7-16-11(17-12(9)18)10-2-1-8(6-15-10)13-19-3-4-20-13/h1-2,6-7,13H,3-4H2,(H,16,17,18)

InChI key: InChIKey=XVHYDKOHODPXBI-UHFFFAOYSA-N

SMILES: O=C1NC(=NC=C1C#N)C2=CC=C(C=N2)C3OCCO3

Synonyms:

• 5-Pyrimidinecarbonitrile, 2-[5-(1,3-dioxolan-2-yl)-2-pyridinyl]-1,6-dihydro-6-oxo-
• 2-[5-(1,3-Dioxolan-2-yl)-2-pyridinyl]-1,6-dihydro-6-oxo-5-pyrimidinecarbonitrile