Cas no 136819-96-0 (1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione)

1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione structure
136819-96-0 structure
Product Name:1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione
CAS No:136819-96-0
MF:C8H10N2O3
MW:182.176601886749
CID:1241469
PubChem ID:376599
Update Time:2025-04-20

1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione
    • 1-((Allyloxy)methyl)-2,4(1H,3H)-pyrimidinedione
    • 1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
    • NCI60_020026
    • 2,4(1H,3H)-Pyrimidinedione, 1-((2-propenyloxy)methyl)-
    • CHEMBL1972920
    • NSC-657610
    • 1-((2-Propenyloxy)methyl)-2,4(1H,3H)-pyrimidinedione
    • NSC657610
    • 1-(allyloxymethyl)pyrimidine-2,4-dione
    • 1-(Allyloxymethyl)uracil
    • DTXSID40159965
    • 136819-96-0
    • BRN 5334797
    • Inchi: 1S/C8H10N2O3/c1-2-5-13-6-10-4-3-7(11)9-8(10)12/h2-4H,1,5-6H2,(H,9,11,12)
    • InChI Key: QWZTZUYUCDFXJV-UHFFFAOYSA-N
    • SMILES: O(CC=C)CN1C=CC(NC1=O)=O

Computed Properties

  • Exact Mass: 182.0692
  • Monoisotopic Mass: 182.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 260
  • 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: 58.6?2

Experimental Properties

  • PSA: 58.64

1-[(prop-2-en-1-yloxy)methyl]pyrimidine-2,4(1H,3H)-dione Related Literature

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