2-purin-9-ylcyclohexan-1-ol

C11H14N4O — CID 517723

IUPAC2-purin-9-ylcyclohexan-1-ol
SMILESOC1CCCCC1n1cnc2cncnc21
InChIInChI=1S/C11H14N4O/c16-10-4-2-1-3-9(10)15-7-14-8-5-12-6-13-11(8)15/h5-7,9-10,16H,1-4H2
InChIKeyVJLPIPHTBGYWGJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.30
Rot. Bonds1

About 2-purin-9-ylcyclohexan-1-ol

2-purin-9-ylcyclohexan-1-ol (PubChem CID 517723) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-purin-9-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-purin-9-ylcyclohexan-1-ol
PubChem CID517723
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-purin-9-ylcyclohexan-1-ol
SMILESOC1CCCCC1n1cnc2cncnc21
InChIInChI=1S/C11H14N4O/c16-10-4-2-1-3-9(10)15-7-14-8-5-12-6-13-11(8)15/h5-7,9-10,16H,1-4H2
InChIKeyVJLPIPHTBGYWGJ-UHFFFAOYSA-N
XLogP1.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-purin-9-ylpiperidine-1-carboxylic acid
CID 146273917
2-(6-methylsulfanylpurin-9-yl)cyclohexan-1-ol
CID 121012650
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol
CID 70292310
(3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-one
CID 16737831
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
4-purin-9-ylpyrrolidine-2-carboxylic acid
CID 152757094
(2R,3S,4S,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-ylthiolan-3-ol
CID 54400741
sodium;hydride;9-hydroxypurine
CID 174050509
9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
CID 135431287
9-iodopurine
CID 70189684
9-bromopurine
CID 91356605

Frequently Asked Questions

What is the IUPAC name of 2-purin-9-ylcyclohexan-1-ol?
The IUPAC name of 2-purin-9-ylcyclohexan-1-ol (CID 517723) is 2-purin-9-ylcyclohexan-1-ol.
What is the SMILES notation for 2-purin-9-ylcyclohexan-1-ol?
The canonical SMILES for 2-purin-9-ylcyclohexan-1-ol is OC1CCCCC1n1cnc2cncnc21.
What is the InChIKey of 2-purin-9-ylcyclohexan-1-ol?
The InChIKey is VJLPIPHTBGYWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-10-4-2-1-3-9(10)15-7-14-8-5-12-6-13-11(8)15/h5-7,9-10,16H,1-4H2.
What are the key properties of 2-purin-9-ylcyclohexan-1-ol?
2-purin-9-ylcyclohexan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-purin-9-ylcyclohexan-1-ol is sourced from PubChem (CID 517723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).