Cas no 2227-83-0 (5H-Pyrrolo[3,2-d]pyrimidine,6-ethoxy-)

5H-Pyrrolo[3,2-d]pyrimidine,6-ethoxy- structure
2227-83-0 structure
Product Name:5H-Pyrrolo[3,2-d]pyrimidine,6-ethoxy-
CAS No:2227-83-0
MF:C8H9N3O
MW:163.176561117172
CID:280458
PubChem ID:251515
Update Time:2025-04-19

5H-Pyrrolo[3,2-d]pyrimidine,6-ethoxy- Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrrolo[3,2-d]pyrimidine,6-ethoxy-
    • 6-ethoxy-5H-pyrrolo[3,2-d]pyrimidine
    • 6-Ethoxy-5H-pyrrolo< 3,2-d> pyrimidin
    • AC1L5K0M
    • AC1Q4WQ2
    • AG-K-89099
    • AR-1H1609
    • CTK4E9086
    • NSC71971
    • 2227-83-0
    • NSC-71971
    • DTXSID80290947
    • Inchi: 1S/C8H9N3O/c1-2-12-8-3-6-7(11-8)4-9-5-10-6/h3-5,11H,2H2,1H3
    • InChI Key: DXYPHSCFOFVKRE-UHFFFAOYSA-N
    • SMILES: O(CC)C1=CC2=C(C=NC=N2)N1

Computed Properties

  • Exact Mass: 163.07467
  • Monoisotopic Mass: 163.075
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 153
  • 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: 1.1
  • Topological Polar Surface Area: 50.8?2

Experimental Properties

  • Density: 1.266
  • Boiling Point: 333°Cat760mmHg
  • Flash Point: 121.9°C
  • Refractive Index: 1.633
  • PSA: 50.8
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