CAS 1065075-61-7

2-(Methylthio)-4-[(2-phenylethyl)amino]-5-pyrimidinecarboxylic acid

Description:

2-(Methylthio)-4-[(2-phenylethyl)amino]-5-pyrimidinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrimidine ring substituted with a methylthio group and an amino group linked to a phenylethyl moiety. This compound typically exhibits properties associated with both pyrimidine derivatives and amino acids, such as potential solubility in polar solvents and the ability to form hydrogen bonds due to the presence of carboxylic acid and amino functional groups. Its molecular structure suggests it may participate in various biological interactions, potentially acting as a ligand or influencing metabolic pathways. The methylthio group can enhance lipophilicity, affecting its pharmacokinetic properties. Additionally, the presence of the phenylethyl group may contribute to its biological activity, possibly influencing receptor binding or enzyme interactions. Overall, this compound's unique combination of functional groups positions it as a candidate for further research in medicinal chemistry and pharmacology.

Formula: C₁₄H₁₅N₃O₂S

InChI: InChI=1S/C14H15N3O2S/c1-20-14-16-9-11(13(18)19)12(17-14)15-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,18,19)(H,15,16,17)

InChI key: InChIKey=QWKBQKIVEFHTIO-UHFFFAOYSA-N

SMILES: N(CCC1=CC=CC=C1)C=2C(C(O)=O)=CN=C(SC)N2

Synonyms:

• 2-(Methylthio)-4-[(2-phenylethyl)amino]-5-pyrimidinecarboxylic acid
• 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-[(2-phenylethyl)amino]-

2-(METHYLTHIO)-4-(PHENETHYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID

CAS: 1065075-61-7

Formula: C₁₄H₁₅N₃O₂S

Purity: 95.0%

Molecular weight: 289.35

Ref: 10-F306481