Cas no 62637-01-8 (1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-)

1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl- structure
62637-01-8 structure
Product Name:1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-
CAS No:62637-01-8
MF:C11H17N5O2
MW:251.284981489182
CID:437027
PubChem ID:674083
Update Time:2025-04-19

1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-
    • 7-[3-(dimethylamino)propyl]-3-methylpurine-2,6-dione
    • NCGC00296426-01
    • AB01291424-01
    • 62637-01-8
    • AKOS005594902
    • AC1LDRXI
    • 7-[3-(dimethylamino)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
    • DTXSID20350130
    • Inchi： 1S/C11H17N5O2/c1-14(2)5-4-6-16-7-12-9-8(16)10(17)13-11(18)15(9)3/h7H,4-6H2,1-3H3,(H,13,17,18)
    • InChI Key： WWDOBZVPBITZJO-UHFFFAOYSA-N
    • SMILES： O=C1C2=C(N=CN2CCCN(C)C)N(C)C(N1)=O

Computed Properties

  • Exact Mass: 251.13841
  • Monoisotopic Mass: 251.13822480g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 346
  • 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: -0.5
  • Topological Polar Surface Area: 70.5?2

Experimental Properties

  • PSA: 70.47

1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl- Related Literature

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62637-01-8 (1H-Purine-2,6-dione, 7-[3-(dimethylamino)propyl]-3,7-dihydro-3-methyl-) Related Products

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