AS1269574   Click here for help

GtoPdb Ligand ID: 4027

Synonyms: AS 1269574 | AS-1269574
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 58.04
Molecular weight 307.03
XLogP 2.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCNc1cc(C)nc(n1)c1ccc(cc1)Br
Isomeric SMILES OCCNc1cc(C)nc(n1)c1ccc(cc1)Br
InChI InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChI Key DUKPGOOUJNUIOI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
Synonyms Click here for help
AS 1269574 | AS-1269574
Database Links Click here for help
CAS Registry No. 330981-72-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1956589
GtoPdb PubChem SID 178100853
PubChem CID 5332859
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Tocris
AS 1269574
Cat. No. 4177