chempirical

Pyrimidine-4-carboxaldehyde

C5H4N2OCAS 2435-50-9108.10 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
2435-50-9
SMILES
C1=CN=CN=C1C=O
InChIKey
OKULHRWWYCFJAB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H

Weigh it out

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

Work with Pyrimidine-4-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-2-carbaldehyde1121-60-452 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-647 % similar Pyridine-4-carbaldehyde872-85-546 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-242 % similar 5-Bromopyridine-2-carbaldehyde31181-90-542 % similar 2,6-Diformylpyridine5431-44-741 % similar 4-Bromopyridine-2-carbaldehyde131747-63-241 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-539 % similar

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

Same formula

Pyrimidine-5-carboxaldehyde10070-92-5 2-Pyrimidinecarboxaldehyde27427-92-5 Pyridazine-4-carbaldehyde50901-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook