2-(6-Amino-8-(2-pyridin-3-yl-ethynyl)-purin-9-yl)ethanol

HCID 66867904
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Basic information

Standard SMILES
Nc1ncnc2c1nc(C#Cc1cccnc1)n2CCO
InChIKey
AOZSXCYZNVANGE-UHFFFAOYSA-N
Molecular formula
C14H12N6O
Average molar mass
280.28 g/mol

Names & identifiers

Preferred name
2-(6-Amino-8-(2-pyridin-3-yl-ethynyl)-purin-9-yl)ethanol
IUPAC
2-[6-amino-8-(2-pyridin-3-ylethynyl)purin-9-yl]ethanol

Names & synonyms

SCHEMBL986123AOZSXCYZNVANGE-UHFFFAOYSA-N2-(6-amino-8-(2-pyridin-3-yl-ethynyl)-purin-9-yl)ethanol

Database identifiers

PubChem CID
66867904

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Related reactions

4 records
New reaction record

Compound notes

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