chempirical

Pyrimidine-5-carboxaldehyde

C5H4N2OCAS 10070-92-5108.10 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C5H4N2O
Molar mass
108.10 g/mol
Exact mass
108.0324 Da
logP
0.29Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
10070-92-5
SMILES
C1=C(C=NC=N1)C=O
InChIKey
FREJAOSUHFGDBW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H

Weigh it out

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

Work with Pyrimidine-5-carboxaldehyde

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

Pyridine-3-carbaldehyde500-22-152 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-348 % similar 5-Fluoronicotinaldehyde39891-04-848 % similar 2-Aminopyrimidine-5-carbaldehyde120747-84-448 % similar Pyridine-4-carbaldehyde872-85-548 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-939 % similar Benzaldehyde100-52-739 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-839 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook