Cas no 851940-83-5 (2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide)

2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide structure
851940-83-5 structure
Product Name:2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide
CAS No:851940-83-5
MF:C16H26N7O3
MW:364.422742366791
CID:6146618
PubChem ID:74580994
Update Time:2025-09-23

2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide Chemical and Physical Properties

Names and Identifiers

    • 2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide
    • 851940-83-5
    • Inchi: 1S/C16H25N7O3/c1-4-21-5-7-22(8-6-21)10-12-18-14-13(23(12)9-11(17)24)15(25)20(3)16(26)19(14)2/h13H,4-10H2,1-3H3,(H-,17,24)/p+1
    • InChI Key: PCCWDMVLCOHPLL-UHFFFAOYSA-O
    • SMILES: O=C1C2C(N(C)C(N1C)=O)=NC(CN1CCN(CC)CC1)=[N+]2CC(N)=O

Computed Properties

  • Exact Mass: 364.20971272g/mol
  • Monoisotopic Mass: 364.20971272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 694
  • 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: -1.8
  • Topological Polar Surface Area: 106?2

2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide Pricemore >>

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