Cas no 114969-85-6 (5-bromo-6-methylpyrimidine-4-carbonitrile)

5-bromo-6-methylpyrimidine-4-carbonitrile structure
114969-85-6 structure
Product Name:5-bromo-6-methylpyrimidine-4-carbonitrile
CAS No:114969-85-6
MF:C6H4BrN3
MW:198.020059585571
MDL:MFCD18804001
CID:2624763
PubChem ID:13860997
Update Time:2025-09-24

5-bromo-6-methylpyrimidine-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-6-methylpyrimidine-4-carbonitrile
    • 114969-85-6
    • 5-BROMO-4-CYANO-6-METHYLPYRIMIDINE
    • SCHEMBL15666218
    • 4-Pyrimidinecarbonitrile, 5-bromo-6-methyl-
    • DTXCID60502151
    • CS-0451783
    • SB56398
    • MFCD18804001
    • Z1216824767
    • DTXSID20551367
    • EN300-2954825
    • MDL： MFCD18804001
    • Inchi： 1S/C6H4BrN3/c1-4-6(7)5(2-8)10-3-9-4/h3H,1H3
    • InChI Key： IHVQXLDXNIMTEY-UHFFFAOYSA-N
    • SMILES： BrC1=C(C#N)N=CN=C1C

Computed Properties

  • Exact Mass: 196.95886Da
  • Monoisotopic Mass: 196.95886Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 1.3
  • Topological Polar Surface Area: 49.6?2

5-bromo-6-methylpyrimidine-4-carbonitrile Pricemore >>

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