Cas no 199863-87-1 (2-Pyrimidinamine, 4-chloro-6-(1-methylpropyl)-)

2-Pyrimidinamine, 4-chloro-6-(1-methylpropyl)- structure
199863-87-1 structure
Product Name:2-Pyrimidinamine, 4-chloro-6-(1-methylpropyl)-
CAS No:199863-87-1
MF:C8H12ClN3
MW:185.653980255127
CID:3880163
PubChem ID:21846441
Update Time:2025-04-22

2-Pyrimidinamine, 4-chloro-6-(1-methylpropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinamine, 4-chloro-6-(1-methylpropyl)-
    • 2-amino-6-(but-2-yl)-4-chloropyrimidine
    • 2-Amino-4-chloro-6-(sec-butyl)pyrimidine
    • AKOS015946584
    • SCHEMBL5746698
    • 199863-87-1
    • DA-43340
    • Inchi: 1S/C8H12ClN3/c1-3-5(2)6-4-7(9)12-8(10)11-6/h4-5H,3H2,1-2H3,(H2,10,11,12)
    • InChI Key: AFXNWQFEFRRIMP-UHFFFAOYSA-N
    • SMILES: C1(N)=NC(C(C)CC)=CC(Cl)=N1

Computed Properties

  • Exact Mass: 185.0719751Da
  • Monoisotopic Mass: 185.0719751Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 142
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 51.8?2
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