Cas no 1060813-04-8 (5-bromo-2-(propan-2-yl)pyrimidine)

5-bromo-2-(propan-2-yl)pyrimidine structure
1060813-04-8 structure
Product Name:5-bromo-2-(propan-2-yl)pyrimidine
CAS No:1060813-04-8
MF:C7H9BrN2
MW:201.063760519028
MDL:MFCD12403882
CID:1170964
PubChem ID:20444418
Update Time:2025-04-20

5-bromo-2-(propan-2-yl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2-propan-2-ylpyrimidine
    • 5-Bromo-2-isopropylpyrimidine
    • 5-bromo-2-(propan-2-yl)pyrimidine
    • 5-Bromo-2-(1-methylethyl)pyrimidine
    • AK173649
    • CM10687
    • PB22629
    • FCH1324659
    • Pyrimidine,5-bromo-2-(1-methylethyl)-
    • Pyrimidine, 5-bromo-2-(1-methylethyl)-
    • DB-317393
    • DTXSID501293691
    • DS-8522
    • AKOS015941752
    • SCHEMBL11089872
    • CS-0043184
    • 1060813-04-8
    • SY122009
    • P11450
    • EN300-105443
    • MFCD12403882
    • MDL: MFCD12403882
    • Inchi: 1S/C7H9BrN2/c1-5(2)7-9-3-6(8)4-10-7/h3-5H,1-2H3
    • InChI Key: AQLRZRAEKSQHCD-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C(C)C)=NC=1

Computed Properties

  • Exact Mass: 199.99491g/mol
  • Monoisotopic Mass: 199.99491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 97.8
  • 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
  • Topological Polar Surface Area: 25.8
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.414±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 216.2±13.0 oC (760 Torr),
  • Flash Point: 84.6±19.8 oC,
  • Solubility: Slightly soluble (2.8 g/l) (25 o C),

5-bromo-2-(propan-2-yl)pyrimidine Security Information

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