chempirical

Uracil

C4H4N2O2CAS 66-22-8112.09 g/mol

Open in Covalent MOL file
HONOHN
Phenol

Properties

Molecular formula
C4H4N2O2
Molar mass
112.09 g/mol
Exact mass
112.0273 Da
Melting point
338 °C
logP
-0.11Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
66-22-8
SMILES
Oc1ccnc(O)n1
InChIKey
ISAKRJDGNUQOIC-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Weigh it out

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

Names and synonyms

11 names
  • 2,4(1H,3H)-Pyrimidinedione
  • 2,4-Dioxopyrimidine
  • 2,4-Pyrimidinediol
  • 2,4-Dihydroxypyrimidine
  • Pyrod
  • Pirod
  • 2,4-Pyrimidinedione
  • Hybar X
  • NSC 3970
  • 4-Hydroxyuracil
  • 1,2,3,4-Tetrahydropyrimidine-2,4-dione

Work with Uracil

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

4-Thiouracil591-28-656 % similar 2-Thiouracil141-90-254 % similar 4-Methyl-2-pyrimidinol monohydrochloride5348-51-654 % similar 6-Hydrazinyl-2(1H)-pyrimidinone3310-41-650 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-250 % similar 2-Pyrimidinone hydrochloride38353-09-244 % similar Pyrimidone557-01-743 % similar 2,6-Dihydroxypyridine626-06-243 % similar

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

Same formula

1H-Imidazole-5-carboxylic acid1072-84-0 4,6-Dihydroxypyrimidine1193-24-4 Maleic hydrazide123-33-1 1H-Imidazole-2-carboxylic acid16042-25-4 Pyrazole-4-carboxylic acid37718-11-9

Elsewhere

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