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Molecule record

pyrimidin-4-amine

C4H5N3

95.11 g/mol

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Molecular properties

Formula
C4H5N3
Molar mass
95.11 g·mol−1
Exact mass
95.0483 Da
4
PubChem CID
68958

Functional groups

Aromatic ring
Primary amine

Physical properties

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

Common names and synonyms

  • 163133-86-6
  • 163133-87-7
  • 3,4-Dihydro-4-iminopyrimidine
  • 4(1H)-Pyrimidinimine (9CI)
  • 4(3H)-Pyrimidinimine (9CI)
  • 4-Amino pyrimidine
  • 4-Aminopyrimidine
  • 4-Pyrimidinamine
Show all 24 synonyms
  • 4-Pyrimidineamine
  • 591-54-8
  • 6-Aminopyrimidine
  • 625-620-4
  • BU3262X8CZ
  • CHEMBL302453
  • DTXCID60130332
  • DTXSID10207841
  • MFCD00006112
  • NSC-401236
  • Pyrimidin-4(1H)-imine
  • Pyrimidin-4-ylamine
  • Pyrimidine, 4-amino-
  • RefChem:97884
  • pyrimidin-4-yl-amine
  • pyrimidine-4-ylamine

Structure identifiers

Canonical SMILES
Nc1ccncn1
Isomeric SMILES
C1=CN=CN=C1N
InChI
InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
InChIKey
OYRRZWATULMEPF-UHFFFAOYSA-N
PubChem CID
68958

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 pyrimidin-4-amine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for pyrimidin-4-amine; 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