structure of 5-Methyl-2-(methylthio)pyrimidine

5-Methyl-2-(methylthio)pyrimidine

CAS No.: 100114-24-7
M. Wt: 140.20600
M. Fa: C6H8N2S
InChI Key: HMROJJZKKIPDRB-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 5-Methyl-2-(methylthio)pyrimidine

CAS Number

100114-24-7

IUPAC Name

5-methyl-2-methylsulfanylpyrimidine

InChI

InChI=1S/C6H8N2S/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3

InChIKey

HMROJJZKKIPDRB-UHFFFAOYSA-N

Canonical SMILES

CC1=CN=C(N=C1)SC

Physical and chemical properties of 5-Methyl-2-(methylthio)pyrimidine

Boiling Point

237.3ºC at 760 mmHg

Density

1.14

Exact Mass

140.04100

Index of Refraction

1.562

LogP

1.50690

Molecular Formula

C6H8N2S

Molecular Weight

140.20600

PSA

51.08000

Vapour Pressure

0.0695mmHg at 25°C

Applications of 5-Methyl-2-(methylthio)pyrimidine

5-Methyl-2-(methylthio)pyrimidine serves as an important intermediate in the synthesis of various pharmacologically active compounds. Its derivatives are explored for applications in:

  • Pharmaceutical Development: As a precursor for creating antiviral and anticancer agents.
  • Research: In studies investigating neuroprotective mechanisms and anti-inflammatory therapies.

The compound's structural features make it a valuable building block in medicinal chemistry.

Interaction Studies of 5-Methyl-2-(methylthio)pyrimidine

Studies have focused on the interaction of 5-Methyl-2-(methylthio)pyrimidine with various biological targets. Its ability to modulate pathways related to inflammation and cellular stress responses suggests significant therapeutic potential. Molecular docking studies have been employed to elucidate its binding interactions with target proteins, providing insights into its mechanism of action.

Biological Activity of 5-Methyl-2-(methylthio)pyrimidine

Research has indicated that 5-Methyl-2-(methylthio)pyrimidine exhibits potential neuroprotective and anti-inflammatory properties. It interacts with key proteins involved in cellular stress responses, such as ATF4 and NF-kB. Its mechanism of action includes inhibition of endoplasmic reticulum stress and apoptosis pathways, suggesting its utility in treating neurodegenerative diseases. Furthermore, its biological profile includes activities that may contribute to antiviral and anticancer effects.

Physical sample testing spectrum (NMR) of 5-Methyl-2-(methylthio)pyrimidine

Physical sample testing spectrum (NMR) of 5-Methyl-2-(methylthio)pyrimidine