Molecule record

4-propoxypyrimidine

C7H10N2O

138.17 g/mol

Loading structure

Molecular properties

Formula
C7H10N2O
Molar mass
138.17 g·mol−1
Exact mass
138.0793 Da
4
PubChem CID
23198177

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether

Physical properties

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

Common names and synonyms

  • 45815-15-4
  • SCHEMBL4924812
  • SCHEMBL6773272

Structure identifiers

Canonical SMILES
CCCOc1ccncn1
Isomeric SMILES
CCCOC1=NC=NC=C1
InChI
InChI=1S/C7H10N2O/c1-2-5-10-7-3-4-8-6-9-7/h3-4,6H,2,5H2,1H3
InChIKey
NPNINVURESZUEE-UHFFFAOYSA-N
PubChem CID
23198177

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-propoxypyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-propoxypyrimidine; 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