5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine

Basic Information

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CAS Number

887433-72-9

Molecular Formula

C9H7BrN4

Molecular Weight

251.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CN=CC=C1NC2=NC=C(C=N2)Br

InChI

InChI=1S/C9H7BrN4/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h1-6H,(H,11,12,13,14)

InChIKey

NWQAMMQNVDCGEY-UHFFFAOYSA-N

LogP

2.3777

Topological Polar Surface Area

50.7 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

164

Synonyms & References

English

5-Bromo-N-(pyridin-4-yl)pyrimidin-2-amine
5-bromo-N-pyridin-4-ylpyrimidin-2-amine
5-Bromo-N-4-pyridinyl-2-pyrimidinamine (ACI)
AKOS022175541
MFCD08561182
DTXSID50397694
5-BROMO-N-(PYRIDIN-4-YL)PYRIMIDIN-2-AMINE
AS-42068
5-broMo-N-4-pyridinyl-2-PyriMidinaMine
2-Pyrimidinamine, 5-bromo-N-4-pyridinyl-
887433-72-9

MDL Number

MFCD08561182

FAQ

What are the physical and chemical properties of 5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9)?

5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9) has a crystalline form with a molecular weight of approximately 269.03 g/mol. It is slightly soluble in water and ethanol. This compound is reactive towards nucleophiles and can undergo aromatic substitution reactions. It also exhibits good solubility in common organic solvents such as DMF and DMSO.

How is 5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9) typically synthesized?

5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine is typically synthesized through a multi-step process involving bromination of a pyrimidine derivative followed by nucleophilic aromatic substitution with pyridine. The reaction is often catalyzed by Lewis acids and requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use 5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9)?

5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9) is used in the pharmaceutical industry for the synthesis of various drug candidates. It also finds use in the polymer industry as a precursor for functionalized materials. Additionally, it is utilized in sensor technologies and semiconductor manufacturing for specialized applications.

What precautions should be taken when handling 5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9)?

When handling 5-Bromo-N-(pyridin-4-YL)pyrimidin-2-amine (CAS: 887433-72-9), wear appropriate PPE such as gloves, goggles, and a lab coat. Work in a well-ventilated fume hood to avoid inhalation. Store the compound in a cool, dry place away from heat sources and incompatible materials. In case of spill, follow the safety data sheet (SDS) guidelines for disposal and clean-up.