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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8N2
Molecular Weight 180.2053
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-Phenylethynyl)pyrimidine

SMILES

C1=CC=C(C=C1)C#CC2=CN=CN=C2

InChI

InChIKey=HSQDWKSXSIUOJC-UHFFFAOYSA-N
InChI=1S/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H

HIDE SMILES / InChI

Molecular Formula C12H8N2
Molecular Weight 180.2053
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:09:36 GMT 2025
Edited
by admin
on Wed Apr 02 07:09:36 GMT 2025
Record UNII
LA7G57CJ2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyrimidine, 5-(2-phenylethynyl)-
Preferred Name English
5-(2-Phenylethynyl)pyrimidine
Systematic Name English
Code System Code Type Description
FDA UNII
LA7G57CJ2R
Created by admin on Wed Apr 02 07:09:36 GMT 2025 , Edited by admin on Wed Apr 02 07:09:36 GMT 2025
PRIMARY
CAS
71418-88-7
Created by admin on Wed Apr 02 07:09:36 GMT 2025 , Edited by admin on Wed Apr 02 07:09:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID50399052
Created by admin on Wed Apr 02 07:09:36 GMT 2025 , Edited by admin on Wed Apr 02 07:09:36 GMT 2025
PRIMARY
PUBCHEM
4074142
Created by admin on Wed Apr 02 07:09:36 GMT 2025 , Edited by admin on Wed Apr 02 07:09:36 GMT 2025
PRIMARY