ChemArche
Sign inAccount

Molecule record

4-phenylpyrimidine

C10H8N2

156.19 g/mol

Loading structure

Molecular properties

Formula
C10H8N2
Molar mass
156.19 g·mol−1
Exact mass
156.0687 Da
8
PubChem CID
18923

Functional groups

Aromatic ring

Physical properties

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

Common names and synonyms

  • 222-345-8
  • 3438-48-0
  • 4-phenyl-pyrimidin
  • 4-phenyl-pyrimidine
  • 5-23-08-00009 (Beilstein Handbook Reference)
  • 6-Phenylpyrimidine
  • BRN 0112781
  • CHEBI:90622
Show all 24 synonyms
  • DTXCID50110441
  • DTXSID90187950
  • EINECS 222-345-8
  • InChI=1/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
  • MFCD00006111
  • MKLQPIYLZMLAER-UHFFFAOYSA-
  • MKLQPIYLZMLAER-UHFFFAOYSA-N
  • MLS002694538
  • NSC 84249
  • NSC84249
  • PYRIMIDINE, 4-PHENYL-
  • Pyrimidine,4-phenyl-
  • RW1
  • RefChem:100378
  • UNII-VQR91IRU2R
  • VQR91IRU2R

Structure identifiers

Canonical SMILES
c1ccc(-c2ccncn2)cc1
Isomeric SMILES
C1=CC=C(C=C1)C2=NC=NC=C2
InChI
InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H
InChIKey
MKLQPIYLZMLAER-UHFFFAOYSA-N
PubChem CID
18923

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-phenylpyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-phenylpyrimidine; 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