Cas no 5734-63-4 (4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine)

4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical research. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it a valuable intermediate in drug discovery. The pyrimidine core provides a versatile scaffold for further functionalization, enabling applications in the synthesis of bioactive compounds. This compound exhibits favorable physicochemical properties, including improved solubility and bioavailability compared to non-fluorinated analogs. Its structural features make it particularly useful in the development of kinase inhibitors, antimicrobial agents, and crop protection chemicals. The presence of both methyl and trifluoromethyl substituents contributes to its selectivity and potency in target interactions.
4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine structure
5734-63-4 structure
Product Name:4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine
CAS No:5734-63-4
MF:C6H6F3N3
MW:177.127151012421
MDL:MFCD00160470
CID:871109
PubChem ID:600769
Update Time:2025-10-28

4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine
    • 2-Pyrimidinamine, 4-methyl-6-(trifluoromethyl)-
    • 4-methyl-6-(trifluoromethyl)-2-pyrimidinamine(SALTDATA: FREE)
    • CHEMBL504181
    • HMS1548E20
    • 2-Amino-4-trifluoromethyl-6-methyl pyrimidine
    • SB55626
    • F73996
    • 5734-63-4
    • ALBB-005393
    • HSP90 Inhibitor, 2
    • 4-methyl-6-(trifluoromethyl)-2-pyrimidinamine
    • CCG-42584
    • SR-01000396928-1
    • SR-01000396928-2
    • SR-01000396928
    • STK503384
    • A13
    • 6-Methyl-4-(trifluoromethyl)pyrimidin-2(1h)-imine
    • Pyrimidine, 2-amino-4-methyl-6-(trifluoromethyl)-
    • RS-0054
    • DB-090705
    • 4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine, AldrichCPR
    • DTXSID90344965
    • BDBM50270588
    • TimTec1_005036
    • EN300-1461891
    • SCHEMBL5361699
    • AKOS000268217
    • Q27457071
    • 2-Amino-4-methyl-6-(trifluoromethyl)-pyrimidine
    • MFCD00160470
    • 2qfo
    • 4-Methyl-6-(trifluoromethyl)-2-pyrimidinylamine #
    • [4-methyl-6-(trifluoromethyl)-pyrimidin-2-yl]-amine
    • J-507884
    • CS-0280654
    • MDL: MFCD00160470
    • Inchi: 1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)
    • InChI Key: CNTCLEOUAMWZGS-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N=C(N)N=1)(F)F

Computed Properties

  • Exact Mass: 177.05148
  • Monoisotopic Mass: 177.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 159
  • 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: 51.8A^2
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 268.3±50.0 °C at 760 mmHg
  • Flash Point: 116.1±30.1 °C
  • Refractive Index: 1.482
  • PSA: 51.8
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine Security Information

  • Symbol: GHS06
  • Signal Word:Danger
  • Hazard Statement: H301
  • Warning Statement: P301+P310
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

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Additional information on 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine (CAS No. 5734-63-4): A Comprehensive Overview

The compound 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine, identified by the CAS registry number CAS No. 5734-63-4, is a heterocyclic aromatic amine with significant applications in various fields of chemistry and pharmacology. This molecule, belonging to the pyrimidine family, has attracted considerable attention due to its unique structural features and versatile functional groups. The presence of a methyl group at position 4 and a trifluoromethyl group at position 6 imparts distinct electronic and steric properties, making it a valuable substrate for further chemical modifications and biological studies.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine. Researchers have employed various methodologies, including nucleophilic aromatic substitution and transition metal-catalyzed coupling reactions, to construct this compound with high yield and purity. These methods not only highlight the molecule's synthetic accessibility but also underscore its potential as a building block in drug discovery and material science.

In the realm of pharmacology, 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine has demonstrated promising bioactivity in preclinical studies. Its ability to modulate key biological targets, such as kinases and receptors, positions it as a potential candidate for therapeutic development. Recent studies have explored its role in anti-cancer drug design, where it has shown selective inhibition against certain oncogenic pathways. Additionally, its trifluoromethyl group contributes to enhanced metabolic stability, a critical factor in drug efficacy.

The structural versatility of CAS No. 5734-63-4 extends to its application in materials science. By incorporating this compound into polymer systems, researchers have developed advanced materials with improved thermal stability and electronic properties. These materials hold potential for use in high-performance electronics and energy storage devices.

In conclusion, 4-Methyl-6-(trifluoromethyl)pyrimidin-2-amine, with its unique chemical structure and diverse functional groups, continues to be a focal point in contemporary research. Its applications span across synthetic chemistry, pharmacology, and materials science, underscoring its significance as a multifaceted compound. As ongoing studies unravel its full potential, this compound is poised to make substantial contributions to both academic and industrial advancements.

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