chempirical

4,6-Dihydroxypyrimidine

C4H4N2O2CAS 1193-24-4112.09 g/mol

Open in Covalent MOL file
HOOHNN
Phenol

Properties

Molecular formula
C4H4N2O2
Molar mass
112.09 g/mol
Exact mass
112.0273 Da
Melting point
above 230 °C (decomposes)
logP
-0.11Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
1193-24-4
SMILES
Oc1cc(O)ncn1
InChIKey
DUFGYCAXVIUXIP-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

Weigh it out

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

Names and synonyms

6 names
  • 4(3H)-Pyrimidinone, 6-hydroxy-
  • 4(1H)-Pyrimidinone, 6-hydroxy-
  • 4,6-Pyrimidinediol
  • 6-Hydroxy-4(3H)-pyrimidinone
  • NSC 22838
  • 6-Hydroxypyrimidin-4(3H)-one

Work with 4,6-Dihydroxypyrimidine

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

6-Amino-4(3H)-pyrimidinone1193-22-262 % similar 6-Methyl-4(3H)-pyrimidinone3524-87-662 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-250 % similar 4-Hydroxypyrimidine4562-27-045 % similar 4(3H)-Pyrimidinone51953-17-445 % similar 4-Hydroxy-2(1H)-pyridinone626-03-943 % similar 4,6-Difluoropyrimidine2802-62-240 % similar 3(2H)-Isoquinolinone7651-81-240 % similar

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

Same formula

1H-Imidazole-5-carboxylic acid1072-84-0 Maleic hydrazide123-33-1 1H-Imidazole-2-carboxylic acid16042-25-4 Pyrazole-4-carboxylic acid37718-11-9 Uracil66-22-8

Elsewhere

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