Cas no 405928-83-8 (Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI))

Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI) structure
405928-83-8 structure
Product Name:Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI)
CAS No:405928-83-8
MF:C11H10N2O2
MW:202.209302425385
CID:925952
PubChem ID:22599681
Update Time:2025-04-19

Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 4-(3-butynyloxy)-6-(2-propynyloxy)- (9CI)
    • LOIUTYIFMVOKIF-UHFFFAOYSA-N
    • 4-(3-Butyn-1-yloxy)-6-(2-propyn-1-yloxy)pyrimidine
    • 405928-83-8
    • SCHEMBL5410828
    • 4-(3-butynyloxy)-6-(2-propynyloxy)pyrimidine
    • Inchi: 1S/C11H10N2O2/c1-3-5-7-15-11-8-10(12-9-13-11)14-6-4-2/h1-2,8-9H,5-7H2
    • InChI Key: LOIUTYIFMVOKIF-UHFFFAOYSA-N
    • SMILES: O(C1C=C(N=CN=1)OCC#C)CCC#C

Computed Properties

  • Exact Mass: 202.074227566g/mol
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 273
  • 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: 1.5
  • Topological Polar Surface Area: 44.2?2
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