Cas no 58554-02-2 (4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-)

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl- structure
58554-02-2 structure
Product Name:4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-
CAS No:58554-02-2
MF:C15H16N2O
MW:240.300343513489
CID:341679
PubChem ID:12339724
Update Time:2025-04-19

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-methyl-2-phenyl-
    • 9-methyl-2-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    • 58554-02-2
    • 9-Methyl-2-phenyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
    • DTXSID80491811
    • Inchi: 1S/C15H16N2O/c1-11-6-5-9-17-14(18)10-13(16-15(11)17)12-7-3-2-4-8-12/h2-4,7-8,10-11H,5-6,9H2,1H3
    • InChI Key: UMYYVAYVBUXWHG-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C2C=CC=CC=2)N=C2C(C)CCCN21

Computed Properties

  • Exact Mass: 240.12638
  • Monoisotopic Mass: 240.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 405
  • 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: 2.1
  • Topological Polar Surface Area: 32.7?2

Experimental Properties

  • PSA: 32.67
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