Cas no 851941-64-5 (8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione)

8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure
851941-64-5 structure
Product Name:8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS No:851941-64-5
MF:C19H32N5O2
MW:362.489684104919
CID:6437311
PubChem ID:74485130
Update Time:2024-01-06

8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione Chemical and Physical Properties

Names and Identifiers

    • 8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • 851941-64-5
    • 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
    • Inchi: 1S/C19H32N5O2/c1-12(2)8-24-15(11-23-9-13(3)7-14(4)10-23)20-17-16(24)18(25)22(6)19(26)21(17)5/h12-14,16H,7-11H2,1-6H3/q+1
    • InChI Key: ZUFZONVCUBGHMM-UHFFFAOYSA-N
    • SMILES: O=C1C2C(N(C)C(N1C)=O)=NC(CN1CC(C)CC(C)C1)=[N+]2CC(C)C

Computed Properties

  • Exact Mass: 362.25560028g/mol
  • Monoisotopic Mass: 362.25560028g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 659
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 59.2?2

8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione Pricemore >>

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8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione Related Literature

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