Cas no 1111101-86-0 (5-(2,4-dimethylphenyl)pyrimidin-2-amine)

5-(2,4-Dimethylphenyl)pyrimidin-2-amine is a pyrimidine derivative featuring a substituted phenyl ring at the 5-position, which enhances its structural diversity and potential reactivity. This compound is of interest in pharmaceutical and agrochemical research due to its pyrimidine core, a common scaffold in bioactive molecules. The presence of the 2,4-dimethylphenyl group may influence steric and electronic properties, potentially improving selectivity in target interactions. Its amine functionality at the 2-position offers a versatile handle for further derivatization, making it a valuable intermediate in synthetic chemistry. The compound's stability and well-defined structure support its use in method development and mechanistic studies.
5-(2,4-dimethylphenyl)pyrimidin-2-amine structure
1111101-86-0 structure
Product Name:5-(2,4-dimethylphenyl)pyrimidin-2-amine
CAS No:1111101-86-0
MF:C12H13N3
MW:199.251722097397
MDL:MFCD11877264
CID:5606986
PubChem ID:79002193
Update Time:2025-10-30

5-(2,4-dimethylphenyl)pyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine, 5-(2,4-dimethylphenyl)-
    • 5-(2,4-Dimethylphenyl)pyrimidin-2-amine
    • 5-(2,4-Dimethylphenyl)-2-pyrimidinamine
    • SCHEMBL24309846
    • AKOS017515718
    • 1111101-86-0
    • CS-0284677
    • EN300-841968
    • 5-(2,4-dimethylphenyl)pyrimidin-2-amine
    • MDL: MFCD11877264
    • Inchi: 1S/C12H13N3/c1-8-3-4-11(9(2)5-8)10-6-14-12(13)15-7-10/h3-7H,1-2H3,(H2,13,14,15)
    • InChI Key: SCBQCSOTURBMQI-UHFFFAOYSA-N
    • SMILES: C1(N)=NC=C(C2=CC=C(C)C=C2C)C=N1

Computed Properties

  • Exact Mass: 199.110947427g/mol
  • Monoisotopic Mass: 199.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 199
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.132±0.06 g/cm3(Predicted)
  • Boiling Point: 393.7±52.0 °C(Predicted)
  • pka: 3.57±0.10(Predicted)

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Additional information on 5-(2,4-dimethylphenyl)pyrimidin-2-amine

Comprehensive Overview of 5-(2,4-dimethylphenyl)pyrimidin-2-amine (CAS No. 1111101-86-0): Properties, Applications, and Industry Insights

5-(2,4-dimethylphenyl)pyrimidin-2-amine (CAS No. 1111101-86-0) is a specialized organic compound belonging to the pyrimidine amine class, which has garnered significant attention in pharmaceutical and agrochemical research. This compound features a pyrimidine core substituted with an amino group at the 2-position and a 2,4-dimethylphenyl moiety at the 5-position, contributing to its unique chemical and biological properties. Researchers and industry professionals frequently search for terms like "pyrimidine derivatives synthesis", "amine-functionalized heterocycles", and "CAS 1111101-86-0 applications", reflecting its relevance in modern chemistry.

The structural versatility of 5-(2,4-dimethylphenyl)pyrimidin-2-amine makes it a valuable intermediate in drug discovery. Its heterocyclic framework is often explored for designing kinase inhibitors, antimicrobial agents, and anti-inflammatory compounds. Recent studies highlight its potential in targeting cancer pathways and neurodegenerative diseases, aligning with trending topics such as "precision medicine" and "small-molecule therapeutics". Additionally, its lipophilic nature and hydrogen-bonding capacity enhance bioavailability, a critical factor in pharmacokinetic optimization.

In agrochemical applications, this compound is investigated for its role in developing crop protection agents. The 2,4-dimethylphenyl group may contribute to pesticidal activity by interfering with fungal or insect metabolic pathways. Searches like "sustainable agrochemicals" and "green chemistry in agriculture" underscore the demand for eco-friendly alternatives, where 5-(2,4-dimethylphenyl)pyrimidin-2-amine could play a part due to its modifiable structure.

Synthetic routes to 5-(2,4-dimethylphenyl)pyrimidin-2-amine typically involve cross-coupling reactions or cyclocondensation of precursor molecules. Advanced techniques such as microwave-assisted synthesis and catalytic C-H activation are gaining traction, as evidenced by queries like "efficient pyrimidine synthesis methods". Analytical characterization via NMR, HPLC, and mass spectrometry ensures purity, a key concern for industries prioritizing quality control.

From a commercial perspective, the compound’s niche applications drive its market demand. Suppliers often list it under identifiers such as "CAS 1111101-86-0 supplier" or "high-purity pyrimidine amines". Regulatory compliance with REACH and FDA guidelines further emphasizes its safe handling and environmental impact, topics increasingly searched alongside "chemical regulatory trends".

Future research directions may explore computational modeling to predict its interactions with biological targets, leveraging AI-driven tools like "molecular docking software". As sustainability becomes paramount, greener synthesis protocols for 5-(2,4-dimethylphenyl)pyrimidin-2-amine will likely dominate academic and industrial discourse, resonating with global initiatives like "green chemistry 2030".

In summary, 5-(2,4-dimethylphenyl)pyrimidin-2-amine (CAS No. 1111101-86-0) exemplifies the intersection of innovation and practicality in chemical sciences. Its multifaceted applications—from life sciences to agriculture—coupled with evolving synthetic methodologies, position it as a compound of enduring scientific and industrial interest.

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