Cas no 28215-45-4 (2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo-)

2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo- structure
28215-45-4 structure
Product Name:2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo-
CAS No:28215-45-4
MF:C6H7N3O3
MW:169.138080835342
CID:282199
PubChem ID:226794
Update Time:2025-04-19

2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidineacetamide,1,6-dihydro-4-hydroxy-6-oxo-
    • 2-(4,6-dihydroxypyrimidin-2-yl)acetamide
    • (4,6-dichloro-pyrimidin-2-yl)-acetic acid ethyl ester
    • 2-(4',6'-Dichlorpyrimidin-2'-yl)-essigsaeureethylester
    • 2-(4,6-dihydroxy-pyrimidin-2-yl)-acetamide
    • AK-43244
    • I14-16253
    • KB-125303
    • QC-9234
    • NSC 17577
    • 1,6-Dihydro-4-hydroxy-6-oxo-2-pyrimidineacetamide
    • SB56351
    • SCHEMBL1923422
    • SY286661
    • MFCD06255114
    • 28215-45-4
    • DTXSID80280606
    • AKOS000297162
    • CS-0458388
    • 960371-40-8
    • 4,6-Dihydroxypyrimidine-2-acetamide
    • FT-0732840
    • NSC-17577
    • NSC17577
    • AKOS002664663
    • YMNQUXSIHDBIAK-UHFFFAOYSA-N
    • Inchi: 1S/C6H7N3O3/c7-3(10)1-4-8-5(11)2-6(12)9-4/h2H,1H2,(H2,7,10)(H2,8,9,11,12)
    • InChI Key: YMNQUXSIHDBIAK-UHFFFAOYSA-N
    • SMILES: OC1=CC(NC(CC(N)=O)=N1)=O

Computed Properties

  • Exact Mass: 169.04881
  • Monoisotopic Mass: 169.04874109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 292
  • 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: -1.8
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.71±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: >200 oC
  • Solubility: Soluble (120 g/l) (25 o C),
  • PSA: 104.78
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