Cas no 26423-00-7 (N-Butyl-6-chloropyrimidin-4-amine)

N-Butyl-6-chloropyrimidin-4-amine is a chlorinated pyrimidine derivative with a butylamine substituent at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The reactive chlorine atom at the 6-position allows for further functionalization through nucleophilic substitution, while the butyl group enhances solubility in organic solvents. Its stable pyrimidine core contributes to its utility in constructing heterocyclic frameworks. The compound is typically handled under controlled conditions due to its reactivity. Its structural features make it valuable for researchers exploring novel bioactive molecules or fine-tuning physicochemical properties in target compounds.
N-Butyl-6-chloropyrimidin-4-amine structure
26423-00-7 structure
Product Name:N-Butyl-6-chloropyrimidin-4-amine
CAS No:26423-00-7
MF:C8H12ClN3
MW:185.653980255127
MDL:MFCD09800955
CID:252343
PubChem ID:26369884
Update Time:2025-10-31

N-Butyl-6-chloropyrimidin-4-amine Chemical and Physical Properties

Names and Identifiers

    • N-Butyl-6-chloropyrimidin-4-amine
    • 4-Pyrimidinamine,N-butyl-6-chloro-
    • 6-Butylamino-4-chloropyrimidine
    • N-Butyl-6-chloro-4-pyrimidinamine
    • 4-Chlor-6-n-butylaminopyrimidin
    • 4-chloro-6-butylaminopyrimidine
    • 4-Pyrimidinamine,N-butyl-6-chloro
    • F8882-4316
    • J-523526
    • 4-(Butylamino)-6-chloropyrimidine
    • MFCD09800955
    • BS-22167
    • SCHEMBL9181933
    • 26423-00-7
    • AKOS009154635
    • SB56355
    • CS-0205697
    • DTXSID00650004
    • BBA42300
    • A877234
    • FT-0681505
    • 4-Pyrimidinamine, N-butyl-6-chloro-
    • MDL: MFCD09800955
    • Inchi: 1S/C8H12ClN3/c1-2-3-4-10-8-5-7(9)11-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)
    • InChI Key: LHMGITJOGBLZHD-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC=N1)NCCCC

Computed Properties

  • Exact Mass: 185.07200
  • Monoisotopic Mass: 185.0719751g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 121
  • 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: 2.7
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • PSA: 37.81000
  • LogP: 2.41500

N-Butyl-6-chloropyrimidin-4-amine Security Information

N-Butyl-6-chloropyrimidin-4-amine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on N-Butyl-6-chloropyrimidin-4-amine

N-Butyl-6-chloropyrimidin-4-amine: A Comprehensive Overview

The compound N-Butyl-6-chloropyrimidin-4-amine (CAS No. 26423-00-7) is a heterocyclic aromatic amine derivative with significant applications in pharmaceutical chemistry and material science. This compound has garnered attention due to its unique structural properties and potential bioactivity. In recent years, advancements in synthetic methodologies and computational modeling have shed light on its synthesis, characterization, and biological implications.

N-Butyl-6-chloropyrimidin-4-amine belongs to the class of pyrimidine derivatives, which are widely studied for their roles in nucleic acid structures and drug design. The presence of a chlorine atom at the 6-position and an N-butyl group at the 4-position introduces steric and electronic effects that influence its reactivity and solubility. These substituents also play a crucial role in modulating the compound's pharmacokinetic properties, making it a promising candidate for drug development.

Recent studies have explored the synthesis of N-butyl-pyrimidinamine derivatives using various methodologies, including microwave-assisted synthesis and catalytic cross-coupling reactions. These methods have not only improved the efficiency of synthesis but also enabled the exploration of structural analogs with enhanced bioactivity. For instance, researchers have reported the use of palladium-catalyzed coupling reactions to introduce diverse substituents onto the pyrimidine ring, leading to compounds with improved selectivity against specific biological targets.

The biological activity of N-butyl-pyrimidinamine derivatives has been extensively investigated in recent years. Preclinical studies have demonstrated their potential as inhibitors of kinase enzymes, which are key targets in cancer therapy. Additionally, these compounds have shown promise in modulating ion channels and G-protein coupled receptors (GPCRs), highlighting their versatility in addressing diverse therapeutic areas.

In terms of applications, N-butyl-pyrimidinamine derivatives are being explored for their potential in antiviral therapy. Recent research has focused on their ability to inhibit viral replication by targeting essential viral proteins or host factors. This has led to the identification of several lead compounds with potent antiviral activity, paving the way for further preclinical development.

Moreover, the environmental impact and safety profile of N-butyl-pyrimidinamine derivatives have been evaluated in accordance with regulatory guidelines. Studies indicate that these compounds exhibit low toxicity profiles under standard experimental conditions, making them suitable for further exploration in therapeutic applications.

Looking ahead, ongoing research is focused on optimizing the pharmacokinetic properties of N-butyl-pyrimidinamine derivatives through structure-based drug design. Advanced computational tools, such as molecular docking and machine learning algorithms, are being employed to predict optimal substituents that enhance bioavailability while maintaining efficacy.

In conclusion, N-butyl-pyrimidinamine derivatives represent a promising class of compounds with diverse applications in pharmaceutical chemistry. Continued research into their synthesis, biological activity, and safety profiles will undoubtedly contribute to the development of innovative therapeutic agents in the near future.

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