Cas no 62396-87-6 (9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-)

9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)- structure
62396-87-6 structure
Product Name:9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-
CAS No:62396-87-6
MF:C11H13ClN4O
MW:252.700120687485
CID:446372
PubChem ID:71386836
Update Time:2025-04-19

9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-
    • 6-chloro-9-(5,5-dimethyloxolan-2-yl)purine
    • DTXSID00808987
    • 6-Chloro-9-(5,5-dimethyloxolan-2-yl)-9H-purine
    • 6-Chloro-9-(5,5-dimethyltetrahydrofuran-2-yl)-9H-purine
    • 62396-87-6
    • Inchi: 1S/C11H13ClN4O/c1-11(2)4-3-7(17-11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,3-4H2,1-2H3
    • InChI Key: NPQNBBUVMZQOKR-UHFFFAOYSA-N
    • SMILES: ClC1C2=C(N=CN=1)N(C=N2)C1CCC(C)(C)O1

Computed Properties

  • Exact Mass: 252.07799
  • Monoisotopic Mass: 252.0777887g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 301
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 52.8?2

Experimental Properties

  • PSA: 52.83
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