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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

4-(Pyrimidin-5-yl)benzaldehyde198084-12-760 % similar Pyridine-3-carbaldehyde500-22-152 % similar 2-Chloropyrimidine-5-carbaldehyde933702-55-750 % similar 5-Bromo-3-pyridinecarboxaldehyde113118-81-348 % similar 5-Fluoropyridine-3-carbaldehyde39891-04-848 % similar 2-Aminopyrimidine-5-carbaldehyde120747-84-448 % similar Pyridine-4-carbaldehyde872-85-548 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrimidine-4-carboxaldehyde2435-50-9 2-Pyrimidinecarboxaldehyde27427-92-5 Pyridazine-4-carbaldehyde50901-42-3 Pyrazine-2-carbaldehyde5780-66-5

Elsewhere

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