CAS 1034827-34-3

1,6-Dihydro-6-oxo-2-pyrimidinecarbonitrile

Description:

1,6-Dihydro-6-oxo-2-pyrimidinecarbonitrile is a heterocyclic organic compound characterized by its pyrimidine ring structure, which includes a carbonitrile functional group and a keto group. This compound typically exhibits a pale yellow to off-white crystalline appearance. It is soluble in polar solvents, such as water and alcohols, due to the presence of the carbonitrile group, which can engage in hydrogen bonding. The compound may display biological activity, making it of interest in pharmaceutical research, particularly in the development of novel therapeutic agents. Its molecular structure suggests potential reactivity, allowing for various chemical modifications that could enhance its efficacy or selectivity in biological applications. Additionally, the presence of the keto group may influence its stability and reactivity under different conditions. As with many heterocycles, it may also participate in various chemical reactions, including nucleophilic substitutions and cycloadditions, which can be exploited in synthetic organic chemistry. Overall, 1,6-Dihydro-6-oxo-2-pyrimidinecarbonitrile represents a versatile scaffold for further chemical exploration and application.

Formula: C₅H₃N₃O

InChI: InChI=1S/C5H3N3O/c6-3-4-7-2-1-5(9)8-4/h1-2H,(H,7,8,9)

InChI key: InChIKey=RWGWLOXHZIWXRE-UHFFFAOYSA-N

SMILES: C(#N)C=1NC(=O)C=CN1

Synonyms:

• 1,6-Dihydro-6-oxo-2-pyrimidinecarbonitrile
• 2-Pyrimidinecarbonitrile, 1,6-dihydro-6-oxo-