Cas no 70540-90-8 (2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)-)

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)- structure
70540-90-8 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)-
CAS No:70540-90-8
MF:C9H13N3O2
MW:195.218421697617
CID:547088
PubChem ID:1712435
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)-
    • 1,3-dimethyl-6-(prop-2-enylamino)pyrimidine-2,4-dione
    • 70540-90-8
    • DTXSID50364841
    • AB-323/13887006
    • AKOS006278268
    • Oprea1_256479
    • 1,3-Dimethyl-6-(allylamino)uracil
    • 6-(allylamino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
    • Inchi: 1S/C9H13N3O2/c1-4-5-10-7-6-8(13)12(3)9(14)11(7)2/h4,6,10H,1,5H2,2-3H3
    • InChI Key: CSUZKYMDPRTLCG-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C(C=C(NCC=C)N1C)=O

Computed Properties

  • Exact Mass: 195.10089
  • Monoisotopic Mass: 195.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 309
  • 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: 0.2
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.65

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-(2-propenylamino)- Related Literature

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