CAS 123994-69-4

2-[(3-Ethylphenyl)amino]-1,9-dihydro-6H-purin-6-one

Description:

2-[(3-Ethylphenyl)amino]-1,9-dihydro-6H-purin-6-one, with the CAS number 123994-69-4, is a purine derivative characterized by its unique structural features. This compound contains a purine core, which is a bicyclic structure composed of fused imidazole and pyrimidine rings, and is substituted with an amino group linked to a 3-ethylphenyl moiety. The presence of the ethyl group on the phenyl ring contributes to its hydrophobic characteristics, potentially influencing its solubility and biological activity. The compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. Its molecular structure suggests potential interactions with biological targets, such as enzymes or receptors, which could be explored in drug discovery. Additionally, the compound's stability and reactivity can be influenced by the functional groups present, making it a subject of study in both organic synthesis and pharmaceutical applications. Overall, this compound represents a fascinating intersection of organic chemistry and pharmacology.

Formula: C₁₃H₁₃N₅O

InChI: InChI=1S/C13H13N5O/c1-2-8-4-3-5-9(6-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)

InChI key: InChIKey=RPKIAWXFDCYUPC-UHFFFAOYSA-N

SMILES: O=C1C2=C(NC(NC3=CC(CC)=CC=C3)=N1)N=CN2

Synonyms:

• 6H-Purin-6-one, 2-[(3-ethylphenyl)amino]-1,7-dihydro-
• 2-((3-Ethylphenyl)amino)-3H-purin-6(7H)-one
• 2-[(3-Ethylphenyl)amino]-1,9-dihydro-6H-purin-6-one
• 6H-Purin-6-one, 2-[(3-ethylphenyl)amino]-1,9-dihydro-

6H-Purin-6-one, 2-[(3-ethylphenyl)amino]-1,9-dihydro-

CAS: 123994-69-4

Formula: C₁₃H₁₃N₅O

Molecular weight: 255.2752

Ref: IN-DA000LC0