N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide | CAS No. 639090-55-4

N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide

Basic Information

CAS Number

639090-55-4

Molecular Formula

C18H17ClN6OS

Molecular Weight

400.9 g/mol

AD

Basic Physical Properties

Density

1.49

CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)Cl

InChI

InChI=1S/C18H17ClN6OS/c1-10-8-16(25-24-10)22-15-9-14(19)21-18(23-15)27-13-6-4-12(5-7-13)20-17(26)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,26)(H2,21,22,23,24,25)

InChIKey

ULVNROIYQBQKBP-UHFFFAOYSA-N

LogP

4.404820000000002

Topological Polar Surface Area

95.58999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

516

Synonyms & References

English

  • N-[4-[4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
  • ULVNROIYQBQKBP-UHFFFAOYSA-N
  • AKOS015917797
  • yclopropanecarboxylic acid N-[4-[[4-chloro-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl]sulfanyl]phenyl]amide
  • N-[4-[[4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
  • AKOS016011693
  • N-(4-(4-chloro-6-(3-methyl-1H-pyrazol-5-ylamino)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide
  • AC-25063
  • CS-0187869
  • N-(4-(4-Chloro-6-(3-methyl-1H-pyrazol-5-ylamino)-pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide
  • E76201
  • CHEBI:92402
  • 639090-55-4
  • Q27164141
  • N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-chloropyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide
  • N-[4-({4-CHLORO-6-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]PYRIMIDIN-2-YL}SULFANYL)PHENYL]CYCLOPROPANECARBOXAMIDE
  • SMR000486400
  • HMS2228P13
  • A8786
  • N-(4-((4-Chloro-6-((5-methyl-1H-pyrazol-3-yl)amino)pyrimidin-2-yl)thio)phenyl)cyclopropanecarboxamide
  • cyclopropane carboxylic acid{4-[4-chloro-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}amide
  • cyclopropane carboxylic acid{4-[4-chloro-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl} amide
  • FT-0687636
  • SCHEMBL648099
  • cyclopropane carboxylic acid {4-[4-chloro-6-(5-methyl-2h-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}amide
  • BS-49776
  • DTXSID20647158
  • MLS001065627
  • CHEMBL1421881
  • HMS3358I07
  • CYCLOPROPANE CARBOXYLIC ACID {4-[4-CHLORO-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULPHANYL]-PHENYL}AMIDE

MDL Number

MFCD22572707

FAQ

What are the physical and chemical properties of N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide (CAS: 639090-55-4)?

This compound is a crystalline solid with a molecular weight of approximately 509.2 g/mol. It has limited solubility in water but is more soluble in organic solvents like DMSO and DMF. Chemically, it is stable under normal conditions but reacts readily with strong bases. It can be synthesized through various methods, including amidation and sulfuration. The compound is highly reactive due to its sulfur-containing moiety and amide functionality.

How is N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide (CAS: 639090-55-4) typically synthesized?

N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide is typically synthesized through amidation of a sulfide derivative of 4-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidine and cyclopropanecarboxylic acid chloride. The reaction is catalyzed by a Lewis acid, resulting in a high yield of the target compound. The process involves careful control of temperature and reaction time to ensure high selectivity and yield.

What industries use N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide (CAS: 639090-55-4)?

This compound is primarily used in the pharmaceutical industry for its potential as an antiviral and antifungal agent. It may also find applications in the polymer industry as a functional monomer or building block for novel materials. Additionally, it could be utilized in the semiconductor industry for its potential as a dopant or in sensor technologies due to its structural and functional characteristics.

What precautions should be taken when handling N-[4-({4-Chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl}sulfanyl)phenyl]cyclopropanecarboxamide (CAS: 639090-55-4)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. For detailed safety information, refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for this compound.

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