chempirical

5-Formyluracil

C5H4N2O3CAS 1195-08-0140.10 g/mol

Open in Covalent MOL file
ONOHNHO
AldehydePhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
above 300 °C
logP
-0.30Crippen estimate
Polar surface area
83.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1195-08-0
SMILES
O=Cc1cnc(O)nc1O
InChIKey
OHAMXGZMZZWRCA-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)

Weigh it out

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

Names and synonyms

12 names
  • 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-2,4-dioxo-
  • 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxaldehyde
  • 2,4(1H,3H)-Pyrimidinedione, 5-formyl-
  • 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxaldehyde
  • NSC 197200
  • NSC 241524
  • Immureg
  • 2,4-Dihydroxy-5-formylpyrimidine
  • 2,4-Dihydroxy-pyrimidine-5-carbaldehyde
  • 2,4-Dioxo-1H-pyrimidine-5-carbaldehyde
  • 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
  • 2,4-Dihydroxypyrimidine-5-carbaldehyde

Work with 5-Formyluracil

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

Pyrimidine-2,4,5-triol20636-41-350 % similar 5-Chlorouracil1820-81-147 % similar 5-Bromouracil51-20-747 % similar 5-Fluorouracil51-21-847 % similar Thymine65-71-447 % similar 5-Iodouracil696-07-147 % similar 5-Aminouracil932-52-547 % similar 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-044 % similar

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

Same formula

4-Nitropyridine-N-oxide1124-33-0 3-Nitro-2(3H)-pyridinone137280-55-8 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 3-Hydroxypyrazine-2-carboxylic acid20737-42-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

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