6-(pyridin-2-ylmethoxy)-7H-purin-2-amine

C11H10N6O — CID 5329538

IUPAC6-(pyridin-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2ccccn2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
InChIKeyBWFYLSAIHIMPIL-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.91
Rot. Bonds3

About 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine

6-(pyridin-2-ylmethoxy)-7H-purin-2-amine (PubChem CID 5329538) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(pyridin-2-ylmethoxy)-7H-purin-2-amine
PubChem CID5329538
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name6-(pyridin-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2ccccn2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
InChIKeyBWFYLSAIHIMPIL-UHFFFAOYSA-N
XLogP0.91
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine (CID 5329538) is 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCc2ccccn2)c2[nH]cnc2n1.
What is the InChIKey of 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine?
The InChIKey is BWFYLSAIHIMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6H,5H2,(H3,12,14,15,16,17).
What are the key properties of 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine?
6-(pyridin-2-ylmethoxy)-7H-purin-2-amine has a molecular weight of 242.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).