CAS 120208-35-7

7-Methylpyrimido[4,5-d]pyrimidin-4(3H)-one

Description:

7-Methylpyrimido[4,5-d]pyrimidin-4(3H)-one is a heterocyclic organic compound characterized by its fused pyrimidine rings and a methyl group at the 7-position. This compound features a pyrimidinone structure, which contributes to its potential biological activity. It is typically a crystalline solid, exhibiting moderate solubility in polar solvents due to the presence of nitrogen atoms in the ring system. The compound's molecular structure suggests it may participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. It is of interest in medicinal chemistry, particularly for its potential applications in drug development, as derivatives of pyrimidine compounds often exhibit various pharmacological properties. The presence of the methyl group can affect the electronic properties and steric hindrance, which may influence its biological activity. As with many heterocycles, the stability and reactivity of 7-Methylpyrimido[4,5-d]pyrimidin-4(3H)-one can be influenced by environmental factors such as pH and temperature.

Formula: C₇H₆N₄O

InChI: InChI=1S/C7H6N4O/c1-4-8-2-5-6(11-4)9-3-10-7(5)12/h2-3H,1H3,(H,8,9,10,11,12)

InChI key: InChIKey=UVSVQMRTTNIEEM-UHFFFAOYSA-N

SMILES: O=C1C=2C(NC(C)=NC2)=NC=N1

Synonyms:

• Pyrimido[4,5-d]pyrimidin-4-ol, 7-methyl-
• 7-Methylpyrimido[4,5-d]pyrimidin-4(3H)-one
• NSC 153314
• Pyrimido[4,5-d]pyrimidin-4(1H)-one, 7-methyl-
• Pyrimido[4,5-d]pyrimidin-4(3H)-one, 7-methyl-