chempirical

4-Hydroxypyrimidine

C4H4N2OCAS 4562-27-096.09 g/mol

Open in Covalent MOL file
HONN
Phenol

Properties

Molecular formula
C4H4N2O
Molar mass
96.09 g/mol
Exact mass
96.0324 Da
Melting point
200–201 °C
logP
0.18Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
4562-27-0
SMILES
Oc1ccncn1
InChIKey
DNCYBUMDUBHIJZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 4(3H)-Pyrimidinone
  • 4(3H)-Pyrimidone
  • 3H-Pyrimidin-4-one
  • NSC 1575
  • NSC 157911
  • Pyrimidine-4-ol
  • 1H-Pyrimidin-6-one
  • 3,4-Dihydropyrimidin-4-one
  • 4(1H)-Pyrimidinone
  • 4-Pyrimidinol
  • 4-Oxopyrimidine
  • Deaminoisocytosine
  • 4-Pyrimidinone
  • 4-Pyrimidone

Work with 4-Hydroxypyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Pyridone142-08-546 % similar 2-Pyridinol72762-00-646 % similar 4,6-Dihydroxypyrimidine1193-24-445 % similar 4-Pyrimidinemethanol33581-98-544 % similar Uracil66-22-842 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-241 % similar 4-Pyrimidinecarboxylic acid31462-59-640 % similar 2-Thiouracil141-90-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Imidazole-4-carboxaldehyde3034-50-2 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 Pyrimidone557-01-7 2(1H)-Pyrazinone6270-63-9

Elsewhere

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