[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol

C11H11F4N5O2 — CID 144900246

IUPAC[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2C1OC(CO)(C(F)F)CC1(F)F
InChIInChI=1S/C11H11F4N5O2/c12-8(13)10(2-21)1-11(14,15)9(22-10)20-4-19-5-6(16)17-3-18-7(5)20/h3-4,8-9,21H,1-2H2,(H2,16,17,18)
InChIKeyFLEHHXJNMORFIS-UHFFFAOYSA-N
MW321.23 g/mol
LogP0.96
Rot. Bonds3

About [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol

[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol (PubChem CID 144900246) has the molecular formula C11H11F4N5O2 and a molecular weight of 321.23 g/mol. Its IUPAC name is [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol
PubChem CID144900246
Molecular FormulaC11H11F4N5O2
Molecular Weight321.23 g/mol
Exact Mass321.08
IUPAC Name[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2C1OC(CO)(C(F)F)CC1(F)F
InChIInChI=1S/C11H11F4N5O2/c12-8(13)10(2-21)1-11(14,15)9(22-10)20-4-19-5-6(16)17-3-18-7(5)20/h3-4,8-9,21H,1-2H2,(H2,16,17,18)
InChIKeyFLEHHXJNMORFIS-UHFFFAOYSA-N
XLogP0.96
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-3-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 146193214
(2R,3R,5R)-5-(6-aminopurin-9-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 11644920
(5R)-5-(6-aminopurin-9-yl)-2,2-bis(hydroxymethyl)oxolane-3,4-diol
CID 57078975
2-[[[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetaldehyde;2-methoxypropane
CID 144900854
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 176613109
[(1R,3R)-3-(6-aminopurin-9-yl)-1-fluorocyclopentyl]methanol
CID 11230472
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-trimethylsilyloxolane-3,4-diol
CID 175851034
(1R,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexane-4,5,6-triol
CID 163916891
(1S,3R,4R,5S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-4-ol
CID 11425524
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4,4-difluorooxolan-2-yl]methanol
CID 71354368

Frequently Asked Questions

What is the IUPAC name of [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol?
The IUPAC name of [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol (CID 144900246) is [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol.
What is the SMILES notation for [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol?
The canonical SMILES for [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol is Nc1ncnc2c1ncn2C1OC(CO)(C(F)F)CC1(F)F.
What is the InChIKey of [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol?
The InChIKey is FLEHHXJNMORFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N5O2/c12-8(13)10(2-21)1-11(14,15)9(22-10)20-4-19-5-6(16)17-3-18-7(5)20/h3-4,8-9,21H,1-2H2,(H2,16,17,18).
What are the key properties of [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol?
[5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol has a molecular weight of 321.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-aminopurin-9-yl)-2-(difluoromethyl)-4,4-difluorooxolan-2-yl]methanol is sourced from PubChem (CID 144900246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).