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Molecule record

4-methylpyrimidine

C5H6N2

94.12 g/mol

Loading structure

Molecular properties

Formula
C5H6N2
Molar mass
94.12 g·mol−1
Exact mass
94.0531 Da
4
PubChem CID
18922

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 3438-46-8
  • 3D1R4OMX4N
  • 4-Methylpyrimidine, 97%
  • 4-methyl-pyrimidine
  • AKOS005146203
  • BP-20350
  • CS-M0723
  • DTXSID5063027
Show all 24 synonyms
  • FM08917
  • MFCD00006115
  • PB17038
  • Pyrimidine, 4-methyl-
  • SCHEMBL11016162
  • SCHEMBL12441
  • SCHEMBL127453
  • SCHEMBL205815
  • SCHEMBL2906033
  • SCHEMBL29597429
  • SCHEMBL352893
  • SCHEMBL413067
  • SCHEMBL9903148
  • SY009308
  • TN9633
  • orb3023390

Structure identifiers

Canonical SMILES
Cc1ccncn1
Isomeric SMILES
CC1=NC=NC=C1
InChI
InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
InChIKey
LVILGAOSPDLNRM-UHFFFAOYSA-N
PubChem CID
18922

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 4-methylpyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-methylpyrimidine; 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