Cas no 155006-67-0 (1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl-)

1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl- structure
155006-67-0 structure
Product Name:1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl-
CAS No:155006-67-0
MF:C11H16N4O2
MW:236.270341873169
CID:188464
PubChem ID:3074068
Update Time:2025-04-19

1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl-
    • 7-(2,2-dimethylpropyl)-1-methyl-3H-purine-2,6-dione
    • < 7-(2,2-Dimethyl)propyl> -1-methyl xanthine
    • 120
    • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,2-dimethylpropyl)-1-methyl-
    • 1-methyl-7-neopentylxanthine
    • 3,7-Dihydro-7-(2,2-dimethylpropyl)-1-methyl-1H-purine-2,6-dione
    • 7-(2,2-Dimethylpropyl)-1-methylxanthine
    • 7-< (2,2-dimethyl)propyl> -1-methyl xanthine
    • AC1MINF6
    • AG-E-03117
    • BRN 7252641
    • CTK4C8491
    • MX2
    • SureCN3843737
    • DTXSID90165793
    • 155006-67-0
    • PD160192
    • SCHEMBL3843737
    • MX2/120
    • Inchi： 1S/C11H16N4O2/c1-11(2,3)5-15-6-12-8-7(15)9(16)14(4)10(17)13-8/h6H,5H2,1-4H3,(H,13,17)
    • InChI Key： ATDPBUXMNPNXPM-UHFFFAOYSA-N
    • SMILES： O=C1C2=C(NC(N1C)=O)N=CN2CC(C)(C)C

Computed Properties

  • Exact Mass: 236.12748
  • Monoisotopic Mass: 236.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 350
  • 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: 1.4
  • Topological Polar Surface Area: 67.2?2

Experimental Properties

  • Density: 1.31
  • Refractive Index: 1.624
  • PSA: 67.23

1H-Purine-2,6-dione,7-(2,2-dimethylpropyl)-3,7-dihydro-1-methyl- Related Literature

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