2-amino-4-methylpyridine   

GtoPdb Ligand ID: 5111

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 38.91
Molecular weight 108.07
XLogP 1.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccnc(c1)N
Isomeric SMILES Cc1ccnc(c1)N
InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChI Key ORLGLBZRQYOWNA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-methylpyridin-2-amine
Database Links
CAS Registry No. 695-34-1
ChEMBL Ligand CHEMBL40833
DrugCentral Ligand 172
GtoPdb PubChem SID 178101804
PubChem CID 1533
RCSB PDB Ligand BVF
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