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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9N2O.HO4S
Molecular Weight 222.219
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dimethylpyrimidin-1-ium-2-one,hydrogensulfate

SMILES

OS([O-])(=O)=O.CN1C=CC=[N+](C)C1=O

InChI

InChIKey=HLZPWCNOPOFEKY-UHFFFAOYSA-M
InChI=1S/C6H9N2O.H2O4S/c1-7-4-3-5-8(2)6(7)9;1-5(2,3)4/h3-5H,1-2H3;(H2,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C6H9N2O
Molecular Weight 125.1485
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO4S
Molecular Weight 97.071
Charge -1
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 19:16:55 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:55 GMT 2025
Record UNII
RMB33VUF42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-Dimethylpyrimidin-1-ium-2-one,hydrogensulfate
Systematic Name English
Pyrimidinium, 2,3-dihydro-1,3-dimethyl-2-oxo-, sulfate (1:1)
Preferred Name English
Code System Code Type Description
PUBCHEM
12275361
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
FDA UNII
RMB33VUF42
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY
CAS
21892-82-0
Created by admin on Wed Apr 02 19:16:55 GMT 2025 , Edited by admin on Wed Apr 02 19:16:55 GMT 2025
PRIMARY