Cas no 885267-38-9 (5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine)

5-Bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine is a heterocyclic compound featuring a pyrimidine core substituted with bromine, methoxy, and piperazinyl functional groups. This structure imparts versatility in pharmaceutical and agrochemical applications, serving as a key intermediate in the synthesis of biologically active molecules. The bromine moiety enhances reactivity for further functionalization, while the piperazine ring contributes to binding affinity in receptor-targeted compounds. Its methoxy group provides stability and influences electronic properties, making it valuable in medicinal chemistry for drug discovery. The compound’s well-defined reactivity profile and synthetic accessibility make it a practical choice for researchers developing novel therapeutic agents or studying structure-activity relationships.
5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine structure
885267-38-9 structure
Product Name:5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine
CAS No:885267-38-9
MF:C9H13BrN4O
MW:273.129720449448
MDL:MFCD07781226
CID:710599
PubChem ID:16414240
Update Time:2025-10-28

5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,5-bromo-4-methoxy-2-(1-piperazinyl)-
    • 5-BROMO-2-(PIPERAZIN-1-YL)-4-METHOXYPYRIMIDINE
    • 5-Bromo-4-methoxy-2-(1-piperazinyl)pyrimidine
    • 5-bromo-4-methoxy-2-piperazin-1-ylpyrimidine
    • 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine
    • OR8543
    • C9H13BrN4O
    • 5-bromo-2-(piperazin-1-yl)-4-methoxypyrimidine, AldrichCPR
    • MFCD07781226
    • 885267-38-9
    • Z1095162636
    • AB42613
    • EN300-68539
    • DTXSID80585981
    • AKOS025450659
    • PS-6074
    • CHEMBL3453234
    • MDL: MFCD07781226
    • Inchi: 1S/C9H13BrN4O/c1-15-8-7(10)6-12-9(13-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
    • InChI Key: IWAONNULVXFHMA-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(=NC=1OC)N1CCNCC1

Computed Properties

  • Exact Mass: 272.02700
  • Monoisotopic Mass: 272.02727g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 1
  • Topological Polar Surface Area: 50.3?2

Experimental Properties

  • PSA: 50.28000
  • LogP: 1.05110

5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine

Introduction to 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine (CAS No. 885267-38-9)

5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine (CAS No. 885267-38-9) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the class of pyrimidines, which are essential building blocks in various biological processes and have been widely explored for their potential therapeutic applications. The unique combination of a bromo substituent, a methoxy group, and a piperazine moiety endows this compound with a diverse range of biological activities, making it a valuable candidate for drug development.

The chemical structure of 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine is characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms. The presence of the bromo substituent at the 5-position and the methoxy group at the 4-position imparts specific electronic and steric properties to the molecule. Additionally, the piperazine moiety at the 2-position introduces a flexible and polar group that can engage in various interactions with biological targets, enhancing its pharmacological profile.

Recent studies have highlighted the potential of 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine in various therapeutic areas. One notable application is its use as an inhibitor of specific kinases, which are key enzymes involved in cell signaling pathways. Kinase inhibitors have become an important class of drugs for treating cancers and other diseases characterized by aberrant cell signaling. Research has shown that 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine can selectively inhibit certain kinases, thereby disrupting the signaling pathways that drive disease progression.

In addition to its kinase inhibitory properties, 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine has also been investigated for its anti-inflammatory effects. Inflammation is a complex biological response that plays a crucial role in many diseases, including autoimmune disorders and chronic inflammatory conditions. Studies have demonstrated that this compound can modulate the expression of pro-inflammatory cytokines and other mediators, suggesting its potential as an anti-inflammatory agent.

The pharmacokinetic properties of 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine have also been extensively studied. Its solubility, stability, and bioavailability are important factors that influence its effectiveness as a therapeutic agent. Research has shown that this compound exhibits favorable pharmacokinetic profiles, making it suitable for further development as a drug candidate. However, ongoing studies are necessary to optimize these properties and ensure optimal therapeutic outcomes.

The safety profile of 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine is another critical aspect of its evaluation. Preclinical studies have demonstrated that this compound is generally well-tolerated at therapeutic doses, with minimal adverse effects observed in animal models. However, comprehensive safety assessments are essential to ensure its safe use in humans. Clinical trials are currently underway to evaluate the safety and efficacy of this compound in various disease settings.

In conclusion, 5-bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine (CAS No. 885267-38-9) is a promising compound with a wide range of potential therapeutic applications. Its unique chemical structure and diverse biological activities make it an attractive candidate for further research and development. Ongoing studies continue to uncover new insights into its mechanisms of action and potential clinical uses, paving the way for innovative treatments in medicine.

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