[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol

C11H14FN5O2 — CID 14853632

IUPAC[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESCc1nc2c(N)ncnc2n1C1OC(CO)CC1F
InChIInChI=1S/C11H14FN5O2/c1-5-16-8-9(13)14-4-15-10(8)17(5)11-7(12)2-6(3-18)19-11/h4,6-7,11,18H,2-3H2,1H3,(H2,13,14,15)
InChIKeyQNGHOQJBOWPNPR-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.33
Rot. Bonds2

About [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol

[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 14853632) has the molecular formula C11H14FN5O2 and a molecular weight of 267.26 g/mol. Its IUPAC name is [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID14853632
Molecular FormulaC11H14FN5O2
Molecular Weight267.26 g/mol
Exact Mass267.11
IUPAC Name[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESCc1nc2c(N)ncnc2n1C1OC(CO)CC1F
InChIInChI=1S/C11H14FN5O2/c1-5-16-8-9(13)14-4-15-10(8)17(5)11-7(12)2-6(3-18)19-11/h4,6-7,11,18H,2-3H2,1H3,(H2,13,14,15)
InChIKeyQNGHOQJBOWPNPR-UHFFFAOYSA-N
XLogP0.33
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-3-deuterio-4-fluorooxolan-2-yl]methanol
CID 10858004
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[(2S,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium chloride
CID 25231313
[(2S,4S,5R)-4-fluoro-5-[6-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methanol
CID 54381123
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one;[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 136603529
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-[[2-(methylamino)ethylamino]methyl]oxolane-3,4-diol
CID 25233766
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57116771
[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
[(2R,3S,4R,5R)-5-(6-amino-8-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 50916646
[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl bis(4-methoxyphenyl) phosphite
CID 144900626
(1S,2R,5R)-5-(6-amino-8-methylpurin-9-yl)cyclopent-3-ene-1,2-diol
CID 132942269

Frequently Asked Questions

What is the IUPAC name of [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol (CID 14853632) is [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol is Cc1nc2c(N)ncnc2n1C1OC(CO)CC1F.
What is the InChIKey of [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is QNGHOQJBOWPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2/c1-5-16-8-9(13)14-4-15-10(8)17(5)11-7(12)2-6(3-18)19-11/h4,6-7,11,18H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol?
[5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 267.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-amino-8-methylpurin-9-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 14853632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).