Cas no 53761-31-2 (2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)-)

2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)- structure
53761-31-2 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)-
CAS No:53761-31-2
MF:C7H10N2O3
MW:170.165901660919
CID:380781
PubChem ID:299875
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,5-(2-hydroxypropyl)-
    • 5-(2-hydroxypropyl)-1H-pyrimidine-2,4-dione
    • 5-(2-Hydroxy-2-methylethyl)uracil
    • 5-(2-hydroxypropyl)-1H,3H-pyrimidine-2,4-dione
    • 5-(2-hydroxy-propyl)-1H-pyrimidine-2,4-dione
    • 5-(2-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
    • AC1L6V8Z
    • NSC173722
    • DTXSID40306033
    • NSC-173722
    • 53761-31-2
    • Inchi: 1S/C7H10N2O3/c1-4(10)2-5-3-8-7(12)9-6(5)11/h3-4,10H,2H2,1H3,(H2,8,9,11,12)
    • InChI Key: ZSKJDRZQWNMCPC-UHFFFAOYSA-N
    • SMILES: OC(C)CC1=CNC(NC1=O)=O

Computed Properties

  • Exact Mass: 170.0692
  • Monoisotopic Mass: 170.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 247
  • 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
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 78.43
  • LogP: -1.01350
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