A1ISZ

5-quinolin-8-ylpyrimidin-2-amine

Created:	2024-10-28
Last modified:	2025-03-12

Find Related PDB Entry
1 entries where A1ISZ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	17

2D diagram of A1ISZ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-quinolin-8-ylpyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	5-quinolin-8-ylpyrimidin-2-amine
Formula	C₁₃ H₁₀ N₄
Molecular Weight	222.245
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncc(cn1)c2cccc3cccnc23
SMILES	OpenEye OEToolkits	2.0.7	c1cc2cccnc2c(c1)c3cnc(nc3)N
Canonical SMILES	CACTVS	3.385	Nc1ncc(cn1)c2cccc3cccnc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2cccnc2c(c1)c3cnc(nc3)N
InChI	InChI	1.06	InChI=1S/C13H10N4/c14-13-16-7-10(8-17-13)11-5-1-3-9-4-2-6-15-12(9)11/h1-8H,(H2,14,16,17)
InChIKey	InChI	1.06	LTRKOHDAXGVHHP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	39756610

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.