5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile

C13H11N7O — CID 170551583

IUPAC5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1
InChIInChI=1S/C13H11N7O/c14-5-9-1-2-10(6-16-9)21-4-3-20-8-19-11-12(15)17-7-18-13(11)20/h1-2,6-8H,3-4H2,(H2,15,17,18)
InChIKeyBZWSHAQVPTYVSN-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.75
Rot. Bonds4

About 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile

5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile (PubChem CID 170551583) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile
PubChem CID170551583
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1
InChIInChI=1S/C13H11N7O/c14-5-9-1-2-10(6-16-9)21-4-3-20-8-19-11-12(15)17-7-18-13(11)20/h1-2,6-8H,3-4H2,(H2,15,17,18)
InChIKeyBZWSHAQVPTYVSN-UHFFFAOYSA-N
XLogP0.75
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sch 28080
CID 108137
Gdc-0425
CID 58266779
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CID 6539010
9-Cyclopentyl-6-(2-(3-imidazol-1-yl-propoxy)-phenylamino)-9H-purine-2-carbonitrile
CID 11464526
Nvp-abj688
CID 5288618
4-[1-Ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine
CID 25023714
6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
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Tyk2-IN-14
CID 138560421
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
9-[[4-[2,2-Bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
CID 156587313

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile (CID 170551583) is 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile is N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1.
What is the InChIKey of 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile?
The InChIKey is BZWSHAQVPTYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c14-5-9-1-2-10(6-16-9)21-4-3-20-8-19-11-12(15)17-7-18-13(11)20/h1-2,6-8H,3-4H2,(H2,15,17,18).
What are the key properties of 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile?
5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile has a molecular weight of 281.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-aminopurin-9-yl)ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 170551583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).