CAS 100516-91-4

8-Aminopyrimido[5,4-d]pyrimidin-4(3H)-one

Description:

8-Aminopyrimido[5,4-d]pyrimidin-4(3H)-one, with the CAS number 100516-91-4, is a heterocyclic organic compound characterized by a fused pyrimidine structure. This compound features an amino group at the 8-position and a carbonyl group at the 4-position, contributing to its reactivity and potential biological activity. It is typically a crystalline solid, exhibiting moderate solubility in polar solvents due to its polar functional groups. The presence of the amino group suggests potential for hydrogen bonding, which may influence its interactions in biological systems. This compound is of interest in medicinal chemistry, particularly for its potential applications in drug development, as it may exhibit properties such as antimicrobial or antitumor activity. Its structural features allow for various modifications, which can enhance its pharmacological profile. As with many heterocycles, the stability and reactivity of 8-Aminopyrimido[5,4-d]pyrimidin-4(3H)-one can be influenced by environmental factors such as pH and temperature, making it a subject of interest for further research in both synthetic and medicinal chemistry.

Formula: C₆H₅N₅O

InChI: InChI=1S/C6H5N5O/c7-5-3-4(9-1-10-5)6(12)11-2-8-3/h1-2H,(H2,7,9,10)(H,8,11,12)

InChI key: InChIKey=IOYHNYPTIYHVOD-UHFFFAOYSA-N

SMILES: NC1=C2C(C(=O)N=CN2)=NC=N1

Synonyms:

• Pyrimido[5,4-d]pyrimidin-4-ol, 8-amino-
• Pyrimido[5,4-d]pyrimidin-4(3H)-one, 8-amino-
• 8-Aminopyrimido[5,4-d]pyrimidin-4(3H)-one