CAS 338954-52-2

2-[[(3,4-Dichlorophenyl)methyl]thio]-5-methoxy-N-methyl-4-pyrimidinamine

Description:

2-[[(3,4-Dichlorophenyl)methyl]thio]-5-methoxy-N-methyl-4-pyrimidinamine, with CAS number 338954-52-2, is a chemical compound characterized by its complex structure, which includes a pyrimidine ring substituted with various functional groups. The presence of a methoxy group and a methylthio group contributes to its unique reactivity and solubility properties. The dichlorophenyl moiety enhances its biological activity, making it of interest in pharmaceutical research, particularly in the development of potential therapeutic agents. This compound may exhibit specific interactions with biological targets due to its structural features, which can influence its pharmacokinetics and pharmacodynamics. Additionally, its synthesis and characterization involve standard organic chemistry techniques, and it may be analyzed using methods such as NMR, mass spectrometry, and chromatography to confirm its identity and purity. Overall, this compound represents a class of molecules that may have significant implications in medicinal chemistry and drug development.

Formula: C₁₃H₁₃Cl₂N₃OS

InChI: InChI=1S/C13H13Cl2N3OS/c1-16-12-11(19-2)6-17-13(18-12)20-7-8-3-4-9(14)10(15)5-8/h3-6H,7H2,1-2H3,(H,16,17,18)

InChI key: InChIKey=HGYVJDGUSWUBIY-UHFFFAOYSA-N

SMILES: S(CC1=CC(Cl)=C(Cl)C=C1)C=2N=C(NC)C(OC)=CN2

Synonyms:

• 2-[[(3,4-Dichlorophenyl)methyl]thio]-5-methoxy-N-methyl-4-pyrimidinamine
• 4-Pyrimidinamine, 2-[[(3,4-dichlorophenyl)methyl]thio]-5-methoxy-N-methyl-