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Molecule record

pyrimidine-4-carbaldehyde

C5H4N2O

108.10 g/mol

Loading structure

Molecular properties

Formula
C5H4N2O
Molar mass
108.10 g·mol−1
Exact mass
108.0324 Da
5
PubChem CID
11412355

Functional groups

Aldehyde
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2435-50-9
  • 4-Formylpyrimidine
  • 4-Pyrimidinecarboxaldehyde
  • 4-pyrimidine carbaldehyde
  • 691-835-5
  • A5021
  • AB16150
  • AKOS012052139
Show all 24 synonyms
  • BCP26580
  • CS-W004778
  • DB-030313
  • DTXSID50464976
  • FP09310
  • FT-0648505
  • MFCD03789624
  • PS-9294
  • PYRIMIDINE-4-CARBOXALDEHYDE
  • RefChem:870950
  • SBB065687
  • SCHEMBL29576607
  • SCHEMBL303665
  • SCHEMBL348934
  • SY024569
  • pyrimidine-4-aldehyde

Structure identifiers

Canonical SMILES
O=Cc1ccncn1
Isomeric SMILES
C1=CN=CN=C1C=O
InChI
InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H
InChIKey
OKULHRWWYCFJAB-UHFFFAOYSA-N
PubChem CID
11412355

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for pyrimidine-4-carbaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for pyrimidine-4-carbaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record