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Molecule record

4-tert-butylpyrimidine

C8H12N2

136.20 g/mol

Loading structure

Molecular properties

Formula
C8H12N2
Molar mass
136.20 g·mol−1
Exact mass
136.1000 Da
4
PubChem CID
11480473

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

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

Common names and synonyms

  • 3438-47-9
  • 4-(1,1-Dimethylethyl)pyrimidine
  • 4-tert-butyl-pyrimidine
  • AKOS006372489
  • CS-0272614
  • DTXSID601303863
  • EN300-1196602
  • MFTBXLQLZDEFDK-UHFFFAOYSA-N
Show all 12 synonyms
  • SCHEMBL1521972
  • SCHEMBL1654012
  • SCHEMBL17103241
  • SCHEMBL179269

Structure identifiers

Canonical SMILES
CC(C)(C)c1ccncn1
Isomeric SMILES
CC(C)(C)C1=NC=NC=C1
InChI
InChI=1S/C8H12N2/c1-8(2,3)7-4-5-9-6-10-7/h4-6H,1-3H3
InChIKey
MFTBXLQLZDEFDK-UHFFFAOYSA-N
PubChem CID
11480473

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-tert-butylpyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-tert-butylpyrimidine; 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