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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10ClN5
Molecular Weight 259.694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile

SMILES

NC1=NC(N)=C(C2=CC=C(Cl)C=C2)C(CC#N)=N1

InChI

InChIKey=FWGCWRTVBYBLHJ-UHFFFAOYSA-N
InChI=1S/C12H10ClN5/c13-8-3-1-7(2-4-8)10-9(5-6-14)17-12(16)18-11(10)15/h1-4H,5H2,(H4,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula C12H10ClN5
Molecular Weight 259.694
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 Sat Dec 16 12:57:39 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:39 GMT 2023
Record UNII
A52KEF5R4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]acetonitrile
Systematic Name English
NSC-211797
Code English
4-Pyrimidineacetonitrile, 2,6-diamino-5-(4-chlorophenyl)-
Systematic Name English
4-Pyrimidineacetonitrile, 2,6-diamino-5-(p-chlorophenyl)-
Systematic Name English
2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidineacetonitrile
Systematic Name English
(2,6-DIAMINO-5-(4-CHLORO-PHENYL)-PYRIMIDIN-4-YL)-ACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
309506
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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FDA UNII
A52KEF5R4U
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
PRIMARY
NSC
211797
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID20174530
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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CAS
20535-63-1
Created by admin on Sat Dec 16 12:57:39 GMT 2023 , Edited by admin on Sat Dec 16 12:57:39 GMT 2023
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