CAS 127236-02-6

5-(2-Methoxyphenyl)-2,4(1H,3H)-pyrimidinedione

Description:

5-(2-Methoxyphenyl)-2,4(1H,3H)-pyrimidinedione, identified by its CAS number 127236-02-6, is a chemical compound characterized by its pyrimidinedione core structure, which features a pyrimidine ring with two carbonyl groups (ketones) at the 2 and 4 positions. The presence of a methoxyphenyl group at the 5-position contributes to its aromatic character and may influence its solubility and reactivity. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the biological activity often associated with pyrimidine derivatives. The methoxy group can enhance lipophilicity, potentially improving the compound's ability to penetrate biological membranes. Additionally, the compound may participate in various chemical reactions, including nucleophilic substitutions and cyclization, making it a versatile building block in organic synthesis. As with any chemical substance, proper handling and safety precautions should be observed.

Formula: C₁₁H₁₀N₂O₃

InChI: InChI=1S/C11H10N2O3/c1-16-9-5-3-2-4-7(9)8-6-12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15)

InChI key: InChIKey=YTHJGJAHKXLDRM-UHFFFAOYSA-N

SMILES: O(C)C1=C(C=CC=C1)C=2C(=O)NC(=O)NC2

Synonyms:

• 2,4(1H,3H)-Pyrimidinedione, 5-(2-methoxyphenyl)-
• 5-(2-Methoxyphenyl)-2,4(1H,3H)-pyrimidinedione