Cas no 41259-67-0 (N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine)

N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine structure
41259-67-0 structure
Product Name:N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine
CAS No:41259-67-0
MF:C8H13ClN4
MW:200.66861987114
CID:334865
PubChem ID:227571
Update Time:2025-11-02

N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine Chemical and Physical Properties

Names and Identifiers

    • N4-Butyl-6-chloropyrimidine-4,5-diamine
    • 4,5-Pyrimidinediamine,N4-butyl-6-chloro-
    • 4-N-butyl-6-chloropyrimidine-4,5-diamine
    • 4-n-butylamino-5-amino-6-chloropyrimidine
    • 5-amino-4-chloro-6-(butylamino)pyrimidine
    • N4-butyl-6-chloro-pyrimidine-4,5-diyldiamine
    • N4-Butyl-6-chlor-pyrimidin-4,5-diyldiamin
    • N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine
    • CS-0327407
    • A25993
    • AMY21270
    • NSC 19203
    • AKOS001746741
    • F2124-0087
    • NSC19203
    • N-(5-AMINO-6-CHLORO-4-PYRIMIDINYL)-N-BUTYLAMINE
    • 41259-67-0
    • SCHEMBL14466445
    • N4-Butyl-6-chloro-pyrimidine-4,5-diamine
    • NSC-19203
    • SB60282
    • Pyrimidine-5-amine, 4-butylamino, 6-chloro-
    • DTXSID50280956
    • Inchi: 1S/C8H13ClN4/c1-2-3-4-11-8-6(10)7(9)12-5-13-8/h5H,2-4,10H2,1H3,(H,11,12,13)
    • InChI Key: BJTOSXADXKQKEW-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=NC=N1)NCCCC)N

Computed Properties

  • Exact Mass: 200.08300
  • Monoisotopic Mass: 200.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 144
  • 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: 2.1
  • Topological Polar Surface Area: 63.8?2

Experimental Properties

  • Density: 1.261
  • Boiling Point: 351.7°Cat760mmHg
  • Flash Point: 166.5°C
  • PSA: 63.83000
  • LogP: 2.57840

N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine 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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N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:41259-67-0)N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine
Order Number:A25993
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:02
Price ($):380.0

Additional information on N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine

Introduction to N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine (CAS No. 41259-67-0)

N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine, with the chemical formula C9H14ClN3, is a significant compound in the field of pharmaceutical and agrochemical research. This heterocyclic amine has garnered considerable attention due to its versatile applications and structural properties. The compound's molecular structure, featuring a pyrimidine core with substituents at the 4' and 6' positions, makes it a valuable intermediate in the synthesis of various biologically active molecules.

The CAS number 41259-67-0 uniquely identifies this chemical entity, ensuring precise documentation and classification within scientific databases. As a chlorinated pyrimidine derivative, N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine exhibits distinct reactivity patterns that are exploited in synthetic chemistry. Its dual amine functionalities at the 4 and 5 positions provide multiple sites for further functionalization, making it a crucial building block in medicinal chemistry.

In recent years, the pharmaceutical industry has shown increasing interest in pyrimidine-based scaffolds due to their prevalence in many therapeutic agents. N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine serves as a key precursor in the development of novel drugs targeting various diseases. For instance, its structural motif is closely related to compounds that have demonstrated efficacy in oncology and antiviral therapies. The chloro substituent at the 6-position enhances its utility as a reactive handle, facilitating nucleophilic substitution reactions that are pivotal in drug design.

One of the most compelling aspects of N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine is its role in the synthesis of kinase inhibitors, which are critical in cancer treatment. The pyrimidine ring mimics ATP binding sites, allowing these inhibitors to disrupt signaling pathways involved in cell proliferation. Recent studies have highlighted its potential in developing next-generation tyrosine kinase inhibitors (TKIs), which exhibit improved selectivity and reduced side effects compared to earlier generations. The butyl group at the 4-position contributes to the compound's solubility and pharmacokinetic properties, enhancing its suitability for oral administration.

The agrochemical sector also benefits from this compound's versatility. Pyrimidine derivatives are widely used as intermediates in the production of herbicides and fungicides. N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine has been investigated for its ability to inhibit enzymes essential for plant pathogen growth, offering a promising candidate for developing sustainable agricultural solutions. Its stability under various environmental conditions makes it an attractive option for field applications.

From a synthetic chemistry perspective, N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine is notable for its ease of modification. Researchers can introduce additional functional groups or alter existing ones to tailor the compound's biological activity. This flexibility is particularly valuable in high-throughput screening programs aimed at identifying lead compounds for drug development. The diamine structure allows for diversification into libraries of analogs with distinct pharmacological profiles.

The compound's electronic properties make it an interesting candidate for material science applications as well. Pyrimidine-based molecules are known for their ability to absorb light across multiple wavelengths, making them useful in organic electronics and photovoltaic devices. While this application is still emerging, preliminary research suggests that derivatives of N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine could contribute to advancements in energy-efficient technologies.

In conclusion, N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine (CAS No. 41259-67-0) is a multifaceted compound with significant implications across pharmaceuticals and agrochemicals. Its unique structural features enable diverse applications in drug discovery and material science. As research continues to uncover new synthetic pathways and biological functions, this compound is poised to remain a cornerstone of innovation in the chemical sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:41259-67-0)N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine
A25993
Purity:99%
Quantity:1g
Price ($):380.0
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