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Substance Name: 4-Hydroxypyrimidine
RN: 4562-27-0
UNII: K43V90OY4L
InChIKey: DNCYBUMDUBHIJZ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H4-N2-O

Molecular Weight

  • 96.0886
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxypyrimidine

Synonyms

  • 4-Hydroxypyrimidine
  • 4-Oxopyrimidine
  • 4-Oxypyrimidine
  • 4-Pyrimidinol
  • 4-Pyrimidinol (VAN)
  • 4-Pyrimidinone
  • 4-Pyrimidone
  • 6-Hydroxypyrimidine
  • AI3-52024
  • Deaminoisocytosine
  • EINECS 224-932-4
  • NSC 1575
  • NSC 157911
  • UNII-K43V90OY4L

Systematic Names

  • 1H-Pyrimidin-4-one
  • 4(1H)-Pyrimidinone
  • 4(3H)-Pyrimidinone

Registry Numbers

CAS Registry Number

  • 4562-27-0

FDA UNII

  • K43V90OY4L

Other Registry Numbers

  • 176773-03-8
  • 542-27-8

System Generated Number

  • 0004562270

Structure Descriptors

InChI

1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

InChIKey

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

Smiles

c1c[nH]cnc1=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.38E+00 (none)   EXP
Water Solubility 3.70E+05 mg/L 20 EXP
Vapor Pressure 6.64E-05 mm Hg 25 EST
Henry's Law Constant 5.92E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.78E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.