Molecule record

2-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
78748

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 2-Methyl-1,3-diazine
  • 2-Methylpyrimidine, 97%
  • 5053-43-0
  • 55133-63-6
  • 624-174-8
  • 946-022-2
  • A828158
  • AKOS015892505
Show all 24 synonyms
  • AM1034
  • CS-W016665
  • DTXCID00818783
  • DTXSID00871111
  • Dasatinib Impurity S
  • LNJMHEJAYSYZKK-UHFFFAOYSA-N
  • MFCD00128182
  • PS-18071
  • Pyrimidine, 2-methyl-
  • RefChem:88381
  • SB55536
  • SCHEMBL12604
  • SCHEMBL154840
  • SCHEMBL27222
  • SCHEMBL71024
  • SY008219

Structure identifiers

Canonical SMILES
Cc1ncccn1
Isomeric SMILES
CC1=NC=CC=N1
InChI
InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3
InChIKey
LNJMHEJAYSYZKK-UHFFFAOYSA-N
PubChem CID
78748

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 2-methylpyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpyrimidine; not experimental data.

Sources

Molecule identity

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

Open source record