[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol

C11H14FN5O — CID 11230472

IUPAC[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1CC[C@](F)(CO)C1
InChIInChI=1S/C11H14FN5O/c12-11(4-18)2-1-7(3-11)17-6-16-8-9(13)14-5-15-10(8)17/h5-7,18H,1-4H2,(H2,13,14,15)/t7-,11-/m1/s1
InChIKeyLRLOIMNCYKAUQU-RDDDGLTNSA-N
MW251.26 g/mol
LogP0.83
Rot. Bonds2

About [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol

[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol (PubChem CID 11230472) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
PubChem CID11230472
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1CC[C@](F)(CO)C1
InChIInChI=1S/C11H14FN5O/c12-11(4-18)2-1-7(3-11)17-6-16-8-9(13)14-5-15-10(8)17/h5-7,18H,1-4H2,(H2,13,14,15)/t7-,11-/m1/s1
InChIKeyLRLOIMNCYKAUQU-RDDDGLTNSA-N
XLogP0.83
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3,3-diphosphorosocyclopentyl)purin-6-amine
CID 57063873
[5-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxolan-3-yl]methanol
CID 11630346
[(1S,3R)-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 162781865
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
(1R,2S,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylbicyclo[3.1.0]hexane-2,3-diol
CID 59157757
[(2R,5R)-5-(6-aminopurin-9-yl)-2-methoxyoxolan-2-yl]methanol
CID 67785258
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol
CID 144900246
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-2-(chloromethyl)-4-fluorooxolan-2-yl]methanol
CID 144766812
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol?
The IUPAC name of [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol (CID 11230472) is [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol is Nc1ncnc2c1ncn2[C@@H]1CC[C@](F)(CO)C1.
What is the InChIKey of [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol?
The InChIKey is LRLOIMNCYKAUQU-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H14FN5O/c12-11(4-18)2-1-7(3-11)17-6-16-8-9(13)14-5-15-10(8)17/h5-7,18H,1-4H2,(H2,13,14,15)/t7-,11-/m1/s1.
What are the key properties of [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol?
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol has a molecular weight of 251.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol is sourced from PubChem (CID 11230472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).