5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile

C11H8N6O2 — CID 54494792

IUPAC5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile
SMILESN#Cc1ccc(COc2nc(N)nc3nc[nH]c23)o1
InChIInChI=1S/C11H8N6O2/c12-3-6-1-2-7(19-6)4-18-10-8-9(15-5-14-8)16-11(13)17-10/h1-2,5H,4H2,(H3,13,14,15,16,17)
InChIKeyXYHPPYQAZBFLLY-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.98
Rot. Bonds3

About 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile

5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile (PubChem CID 54494792) has the molecular formula C11H8N6O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile
PubChem CID54494792
Molecular FormulaC11H8N6O2
Molecular Weight256.23 g/mol
Exact Mass256.07
IUPAC Name5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile
SMILESN#Cc1ccc(COc2nc(N)nc3nc[nH]c23)o1
InChIInChI=1S/C11H8N6O2/c12-3-6-1-2-7(19-6)4-18-10-8-9(15-5-14-8)16-11(13)17-10/h1-2,5H,4H2,(H3,13,14,15,16,17)
InChIKeyXYHPPYQAZBFLLY-UHFFFAOYSA-N
XLogP0.98
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Furfuryl adenine
CID 22620828
Furoyladenine
CID 129689228
6-(furan-2-ylmethoxy)-7H-purin-2-amine
CID 10585590
6-(furan-2-ylmethoxy)-7H-purine
CID 18333633
6-[(5-bromofuran-2-yl)methoxy]-7H-purin-2-amine
CID 54242948
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carboxylic acid
CID 54295938
2-(furan-2-ylmethoxy)-7H-purine
CID 54319060
5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile
CID 78318510
[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
CID 78318512
CID 87895009
CID 87895009
2-chloro-6-(furan-2-ylmethoxy)-7H-purine
CID 104786870
ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate
CID 118310072

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile (CID 54494792) is 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile is N#Cc1ccc(COc2nc(N)nc3nc[nH]c23)o1.
What is the InChIKey of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile?
The InChIKey is XYHPPYQAZBFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O2/c12-3-6-1-2-7(19-6)4-18-10-8-9(15-5-14-8)16-11(13)17-10/h1-2,5H,4H2,(H3,13,14,15,16,17).
What are the key properties of 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile?
5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-7H-purin-6-yl)oxymethyl]furan-2-carbonitrile is sourced from PubChem (CID 54494792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).