CAS 503860-54-6

2-Chloro-3-methyl-6-(pyrimidin-4-yl)-3H-pyrimidin-4-one

Description:

2-Chloro-3-methyl-6-(pyrimidin-4-yl)-3H-pyrimidin-4-one is a heterocyclic compound characterized by its complex structure, which includes multiple nitrogen-containing rings. This compound features a chloro substituent at the second position and a methyl group at the third position of the pyrimidine ring, contributing to its unique reactivity and potential biological activity. The presence of the pyrimidin-4-yl group enhances its interaction with biological targets, making it of interest in medicinal chemistry. Typically, compounds of this nature may exhibit properties such as antimicrobial, antiviral, or anticancer activities, although specific biological effects would depend on further empirical studies. The molecular structure suggests potential for hydrogen bonding and π-π stacking interactions, which are crucial for binding to biological macromolecules. Additionally, the compound's solubility, stability, and reactivity can be influenced by the presence of the chloro and methyl groups, as well as the overall electronic distribution within the molecule. Overall, 2-Chloro-3-methyl-6-(pyrimidin-4-yl)-3H-pyrimidin-4-one represents a class of compounds with significant potential in pharmaceutical applications.

Formula: C₉H₇ClN₄O

InChI: InChI=1S/C9H7ClN4O/c1-14-8(15)4-7(13-9(14)10)6-2-3-11-5-12-6/h2-5H,1H3

InChI key: InChIKey=SIXGRHSRZFQWPH-UHFFFAOYSA-N

SMILES: O=C1C=C(N=C(Cl)N1C)C=2C=CN=CN2

Synonyms:

• 2-Chloro-1-methyl-1H-[4,4′]bipyrimidinyl-6-one
• 2-Chloro-3-methyl-6-(pyrimidin-4-yl)-3H-pyrimidin-4-one
• 2-Chloro-1-methyl[4,4′-bipyrimidin]-6(1H)-one
• [4,4′-Bipyrimidin]-6(1H)-one, 2-chloro-1-methyl-
• 2-Chloro-3-methyl-6-(4-pyrimidyl)-3H-pyrimidin-4-one

2-Chloro-1-methyl-[4,4′-bipyrimidin]-6(1H)-one

CAS: 503860-54-6

Purity: 98%

Molecular weight: 222.6300049

Ref: 10-F774215