chempirical

Pyrimidone

C4H4N2OCAS 557-01-796.09 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
177–178 °C
logP
0.18Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
557-01-7
SMILES
Oc1ncccn1
InChIKey
VTGOHKSTWXHQJK-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

Weigh it out

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

Names and synonyms

10 names
  • 2(1H)-Pyrimidinone
  • 2-Oxopyrimidine
  • 2-Pyrimidone
  • 2-Hydroxypyrimidine
  • 2-Pyrimidinol
  • 2-Pyrimidinone
  • 2(1H)-Pyrimidone
  • 1,2-Dihydropyrimidin-2-one
  • NSC 618280
  • 1H-Pyrimidin-2-one

Work with Pyrimidone

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-Pyrimidinone hydrochloride38353-09-282 % similar 2,2'-Bipyrimidine34671-83-547 % similar Uracil66-22-843 % similar 4-Thiouracil591-28-642 % similar 2-Pyridone142-08-541 % similar 5-Bromo-2-pyrimidinol214290-49-041 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-941 % similar 2-Pyrimidinemethanol42839-09-841 % 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 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 2(1H)-Pyrazinone6270-63-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia