Cas no 100950-23-0 (4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-)

4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]- structure
100950-23-0 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-
CAS No:100950-23-0
MF:C15H19N3O2
MW:273.330263376236
CID:142335
PubChem ID:135406002
Update Time:2025-04-19

4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-[(phenylmethyl)amino]-
    • 2-(benzylamino)-5,5-diethyl-1H-pyrimidine-4,6-dione
    • 2-(Benzylimino)-5,5-diethyldihydropyrimidine-4,6(1H,5H)-dione
    • 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyldihydro-2-[(phenylmethyl)imino]-
    • BRN 5575381
    • 2-(Benzylimino)-5,5-diethyldihydro-4,6(1H,5H)-pyrimidinedione
    • DTXSID90143591
    • 5,5-Diethyl-2-((phenylmethyl)amino)-4,6(1H,5H)-pyrimidinedione
    • 100950-23-0
    • CBDivE_001413
    • 4,6(1H,5H)-Pyrimidinedione, 5,5-diethyl-2-((phenylmethyl)amino)-
    • Barbituric acid, 5,5-diethyl-2-benzylimino-
    • 5,5-Diethyl-2-benzyliminobarbituric acid
    • Inchi: 1S/C15H19N3O2/c1-3-15(4-2)12(19)17-14(18-13(15)20)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,16,17,18,19,20)
    • InChI Key: TVALHCOEXGZJKN-UHFFFAOYSA-N
    • SMILES: O=C1C(C(N/C(=N/CC2C=CC=CC=2)/N1)=O)(CC)CC

Computed Properties

  • Exact Mass: 273.14787
  • Monoisotopic Mass: 273.147727
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 407
  • 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
  • Topological Polar Surface Area: 70.6
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.19
  • Refractive Index: 1.591
  • PSA: 70.56
  • LogP: 1.75030
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