U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H11N3O.ClH
Molecular Weight 225.675
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-5,6-DIHYDRO-6-PHENYL-4(3H)-PYRIMIDINONE HYDROCHLORIDE

SMILES

Cl.NC1=NC(=O)CC(N1)C2=CC=CC=C2

InChI

InChIKey=DFSCRTWBXYTBDK-UHFFFAOYSA-N
InChI=1S/C10H11N3O.ClH/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H3,11,12,13,14);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H11N3O
Molecular Weight 189.2138
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:55:30 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:30 GMT 2023
Record UNII
ZG8FDF1511
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-5,6-DIHYDRO-6-PHENYL-4(3H)-PYRIMIDINONE HYDROCHLORIDE
Systematic Name English
2-AMINO-5,6-DIHYDRO-6-PHENYL-4-PYRIMIDINOL HYDROCHLORIDE
Systematic Name English
4(3H)-PYRIMIDINONE, 2-AMINO-5,6-DIHYDRO-6-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
4-PYRIMIDINOL, 2-AMINO-5,6-DIHYDRO-6-PHENYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
ZG8FDF1511
Created by admin on Sat Dec 16 11:55:30 GMT 2023 , Edited by admin on Sat Dec 16 11:55:30 GMT 2023
PRIMARY
CAS
857413-52-6
Created by admin on Sat Dec 16 11:55:30 GMT 2023 , Edited by admin on Sat Dec 16 11:55:30 GMT 2023
PRIMARY
PUBCHEM
126961374
Created by admin on Sat Dec 16 11:55:30 GMT 2023 , Edited by admin on Sat Dec 16 11:55:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY