Cas no 405939-02-8 (6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine)

6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine is a chlorinated pyrimidine derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a dichlorinated aromatic system, enhancing reactivity for further functionalization. The compound serves as a versatile intermediate in synthesizing biologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its dual chloro-substitutions improve stability and facilitate selective cross-coupling reactions. The pyrimidine core offers a rigid scaffold for molecular interactions, making it valuable in medicinal chemistry. High purity grades are available for precision applications. Proper handling under controlled conditions is recommended due to its reactive nature.
6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine structure
405939-02-8 structure
Product Name:6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine
CAS No:405939-02-8
MF:C10H7Cl2N3
MW:240.088679552078
CID:1089586
PubChem ID:11230191
Update Time:2025-11-02

6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine
    • (3‐CHLOROPHENYL)‐(6‐CHLOROPYRIMIDIN‐4‐YL)‐AMINE
    • (3-chlorophenyl)(6-chloropyrimidin-4-yl)amine
    • (3-CHLOROPHENYL)-(6-CHLOROPYRIMIDIN-4-YL)-AMINE
    • 6-chloro-N-(3-chlorophenyl)-4-pyrimidinamine
    • AC-17860
    • AGN-PC-004UP6
    • AK140921
    • KB-207284
    • 4-Pyrimidinamine, 6-chloro-N-(3-chlorophenyl)-
    • 405939-02-8
    • SB58205
    • SCHEMBL3952295
    • DTXSID90459482
    • AKOS010532009
    • 6-chloro-N-(3-chlorophenyl)pyrimidine-4-amine
    • Inchi: 1S/C10H7Cl2N3/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15)
    • InChI Key: HNMUAQXLESLTKK-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)NC1C=C(N=CN=1)Cl

Computed Properties

  • Exact Mass: 239.0017026g/mol
  • Monoisotopic Mass: 239.0017026g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 3.7
  • Topological Polar Surface Area: 37.8?2

6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine Pricemore >>

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Additional information on 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine

6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine (CAS No. 405939-02-8): A Comprehensive Overview

6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine (CAS No. 405939-02-8) is a specialized pyrimidine derivative that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique chlorinated aromatic structure, serves as a crucial intermediate in the synthesis of various bioactive molecules. Its molecular formula, C10H7Cl2N3, reflects its heterocyclic nature, which is pivotal for its applications in drug discovery and material science.

The chemical properties of 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine make it a versatile building block in synthetic chemistry. With a molecular weight of 240.09 g/mol, this compound exhibits moderate solubility in organic solvents such as dimethyl sulfoxide (DMSO) and methanol, while being less soluble in water. Its thermal stability and reactivity under various conditions have been extensively studied, making it a reliable candidate for cross-coupling reactions and other advanced synthetic methodologies.

In recent years, the demand for 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine has surged due to its role in the development of pharmaceutical intermediates. Researchers have explored its potential in designing kinase inhibitors, which are critical in targeting cancer and inflammatory diseases. The compound's dual chloro-substitution enhances its binding affinity to biological targets, a feature that is highly valued in medicinal chemistry.

Beyond pharmaceuticals, 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine has found applications in agrochemical research. Its structural motif is often incorporated into herbicides and pesticides, leveraging its ability to disrupt enzymatic processes in pests. This aligns with the growing trend of sustainable agriculture, where efficient and selective agrochemicals are in high demand.

The synthetic routes for 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine typically involve nucleophilic aromatic substitution reactions, where 4,6-dichloropyrimidine reacts with 3-chloroaniline under controlled conditions. Optimizing these processes for high yield and low environmental impact remains a key focus for chemists, especially in light of the increasing emphasis on green chemistry principles.

From a market perspective, the global demand for 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine is projected to grow steadily, driven by its expanding applications in drug discovery and agrochemical innovation. Suppliers and manufacturers are investing in scalable production methods to meet the needs of research institutions and industrial players. Quality control and regulatory compliance are also critical factors, ensuring that the compound meets the stringent standards required for its diverse applications.

In summary, 6-Chloro-N-(3-chlorophenyl)pyrimidin-4-amine (CAS No. 405939-02-8) stands out as a multifaceted compound with significant potential in both pharmaceutical and agrochemical sectors. Its unique chemical structure and reactivity continue to inspire innovative research, making it a valuable asset in the toolkit of modern chemists.

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