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6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one

  • CAS No. 1016636-76-2

  • Cat. No. CS-B0329
  • Purity≥98%
  • MDL No.MFCD13181208

*For research and further manufacturing use only, not for direct human use.

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one|CS-B0329

Structure of 1016636-76-2

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General Information

  • CAS No. 1016636-76-2
  • Cat. No. CS-B0329
  • Purity ≥98%
  • MDL No. MFCD13181208
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃BrClN₃O
  • Molecular Weight 342.62
  • Synonym(s) None
  • SMILES O=C1N(C2CCCC2)C3=NC(Cl)=NC=C3C(C)=C1Br

Description

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one features a sterically encumbered pyrido[2,3-d]pyrimidinone core with strategically positioned halogen and alkyl substituents. This configuration enables selective incorporation into kinase inhibitor scaffolds and other bioactive heterocycles under standard coupling conditions.

Application

6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one serves as a versatile heterocyclic building block for medicinal chemistry campaigns. Its bromo and chloro substituents enable palladium-catalyzed cross-coupling reactions, while the pyrimidinone core provides a rigid scaffold suitable for targeted ligand design. The cyclopentyl and methyl groups offer favorable steric and lipophilic profiles, enhancing membrane permeability and metabolic stability in drug-like molecules. This compound exhibits bench stability and facilitates straightforward purification via crystallization or flash chromatography.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   3.63092
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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