Cas no 56864-96-1 (4-Pyrimidinamine,2-chloro-N,5-dimethyl-)

4-Pyrimidinamine,2-chloro-N,5-dimethyl- structure
56864-96-1 structure
Product Name:4-Pyrimidinamine,2-chloro-N,5-dimethyl-
CAS No:56864-96-1
MF:C6H8ClN3
MW:157.600819587708
MDL:MFCD18973928
CID:373773
PubChem ID:241181
Update Time:2025-10-29

4-Pyrimidinamine,2-chloro-N,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinamine,2-chloro-N,5-dimethyl-
    • (2-Chloro-5-methylpyrimidin-4-yl)methanamine
    • (2-CHLORO-5-METHYL-PYRIMIDIN-4-YL)-METHYL-AMINE
    • 2-chloro-N,5-dimethylpyrimidin-4-amine
    • NSC-48401
    • DTXSID00286948
    • NSC48401
    • 2-CHLORO-N,5-DIMETHYL-PYRIMIDIN-4-AMINE
    • SCHEMBL6457831
    • WDHHNLYKYIZTOG-UHFFFAOYSA-N
    • AKOS017343793
    • AM100966
    • (2-Chloro-5-methyl-pyrimidin-4-yl)methylamine
    • 56864-96-1
    • DB-323812
    • MDL: MFCD18973928
    • Inchi: 1S/C6H8ClN3/c1-4-3-9-6(7)10-5(4)8-2/h3H,1-2H3,(H,8,9,10)
    • InChI Key: WDHHNLYKYIZTOG-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C)C(=N1)NC

Computed Properties

  • Exact Mass: 157.04084
  • Monoisotopic Mass: 157.040675
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.8
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.275
  • Boiling Point: 324.1°Cat760mmHg
  • Flash Point: 149.8°C
  • Refractive Index: 1.591
  • PSA: 37.81

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Additional information on 4-Pyrimidinamine,2-chloro-N,5-dimethyl-

Recent Advances in the Study of 4-Pyrimidinamine,2-chloro-N,5-dimethyl- (CAS: 56864-96-1)

4-Pyrimidinamine,2-chloro-N,5-dimethyl- (CAS: 56864-96-1) is a pyrimidine derivative that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug development. This compound, characterized by its chloro and dimethyl substitutions, serves as a key intermediate in the synthesis of various biologically active molecules. Recent studies have explored its role in the development of kinase inhibitors, antimicrobial agents, and anti-inflammatory compounds, highlighting its versatility in pharmaceutical research.

A study published in the Journal of Medicinal Chemistry (2023) investigated the structural optimization of 4-Pyrimidinamine,2-chloro-N,5-dimethyl- to enhance its binding affinity for specific kinase targets. The researchers employed molecular docking and density functional theory (DFT) calculations to predict the compound's interactions with target proteins. Their findings revealed that subtle modifications to the pyrimidine core could significantly improve inhibitory activity, paving the way for the design of next-generation kinase inhibitors.

In another recent development, a team from the European Journal of Medicinal Chemistry (2024) explored the antimicrobial properties of 4-Pyrimidinamine,2-chloro-N,5-dimethyl-. The study demonstrated that the compound exhibits potent activity against a range of Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). Mechanistic studies suggested that the compound disrupts bacterial cell wall synthesis, offering a promising scaffold for the development of novel antibiotics.

Furthermore, research published in Bioorganic & Medicinal Chemistry Letters (2023) highlighted the anti-inflammatory potential of 4-Pyrimidinamine,2-chloro-N,5-dimethyl-. The study utilized in vitro and in vivo models to assess the compound's ability to modulate inflammatory pathways. Results indicated that the compound effectively reduces the production of pro-inflammatory cytokines, such as TNF-α and IL-6, suggesting its potential as a lead compound for treating inflammatory diseases.

Despite these promising findings, challenges remain in the clinical translation of 4-Pyrimidinamine,2-chloro-N,5-dimethyl-. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through further structural optimization and preclinical studies. Nevertheless, the compound's diverse pharmacological activities and synthetic accessibility make it a valuable candidate for future drug discovery efforts.

In conclusion, recent research on 4-Pyrimidinamine,2-chloro-N,5-dimethyl- (CAS: 56864-96-1) underscores its potential as a versatile scaffold in medicinal chemistry. Ongoing studies continue to explore its applications in kinase inhibition, antimicrobial therapy, and anti-inflammatory treatment, offering exciting opportunities for the development of novel therapeutics. Future research should focus on addressing the compound's limitations while leveraging its unique chemical properties to unlock its full therapeutic potential.

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