6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine

C11H12ClFN4O — CID 59964788

IUPAC6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine
SMILESCC[C@@H]1CC(F)[C@H](n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C11H12ClFN4O/c1-2-6-3-7(13)11(18-6)17-5-16-8-9(12)14-4-15-10(8)17/h4-7,11H,2-3H2,1H3/t6-,7?,11-/m1/s1
InChIKeyMAFRCMDKFSIAAZ-UHIYAXTESA-N
MW270.70 g/mol
LogP2.52
Rot. Bonds2

About 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine

6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine (PubChem CID 59964788) has the molecular formula C11H12ClFN4O and a molecular weight of 270.70 g/mol. Its IUPAC name is 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine.

Molecular Properties

Compound Name6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine
PubChem CID59964788
Molecular FormulaC11H12ClFN4O
Molecular Weight270.70 g/mol
Exact Mass270.07
IUPAC Name6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine
SMILESCC[C@@H]1CC(F)[C@H](n2cnc3c(Cl)ncnc32)O1
InChIInChI=1S/C11H12ClFN4O/c1-2-6-3-7(13)11(18-6)17-5-16-8-9(12)14-4-15-10(8)17/h4-7,11H,2-3H2,1H3/t6-,7?,11-/m1/s1
InChIKeyMAFRCMDKFSIAAZ-UHIYAXTESA-N
XLogP2.52
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
CID 54381123
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-methyloxolan-3-ol
CID 10706154
[(2R,3S,5R)-4-acetyloxy-5-(6-chloropurin-9-yl)-2-ethyloxolan-3-yl] acetate
CID 121443516
(2R,3R,4S,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 10517505
5-(6-chloropurin-9-yl)-4-methyloxolane-2-carbaldehyde
CID 156542752
[(1S,2S,4R,5R)-4-(6-chloropurin-9-yl)-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 53375978
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 144762805
[(2S,5R)-4-fluoro-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl benzoate
CID 143308708
[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
CID 174009285

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine?
The IUPAC name of 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine (CID 59964788) is 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine.
What is the SMILES notation for 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine?
The canonical SMILES for 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine is CC[C@@H]1CC(F)[C@H](n2cnc3c(Cl)ncnc32)O1.
What is the InChIKey of 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine?
The InChIKey is MAFRCMDKFSIAAZ-UHIYAXTESA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-2-6-3-7(13)11(18-6)17-5-16-8-9(12)14-4-15-10(8)17/h4-7,11H,2-3H2,1H3/t6-,7?,11-/m1/s1.
What are the key properties of 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine?
6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine has a molecular weight of 270.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(2R,5R)-5-ethyl-3-fluorooxolan-2-yl]purine is sourced from PubChem (CID 59964788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).