Cas no 1185309-63-0 (5-Bromo-2-(ethyl-d5)-pyrimidine)

5-Bromo-2-(ethyl-d5)-pyrimidine structure
1185309-63-0 structure
Product Name:5-Bromo-2-(ethyl-d5)-pyrimidine
CAS No:1185309-63-0
MF:C6H7BrN2
MW:192.067988634109
CID:6810918
PubChem ID:45785447
Update Time:2025-03-28

5-Bromo-2-(ethyl-d5)-pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 1185309-63-0
    • 5-Bromo-2-(ethyl-d5)-pyrimidine
    • AKOS015945011
    • CS-18575
    • Inchi: 1S/C6H7BrN2/c1-2-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3/i1D3,2D2
    • InChI Key: SQOJDBHJUUGQJP-ZBJDZAJPSA-N
    • SMILES: BrC1C=NC(C([2H])([2H])C([2H])([2H])[2H])=NC=1

Computed Properties

  • Exact Mass: 191.01064Da
  • Monoisotopic Mass: 191.01064Da
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 79.1
  • 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: 1.7
  • Topological Polar Surface Area: 25.8?2
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