[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol

C10H12FN5O2 — CID 67783363

IUPAC[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]1CF
InChIInChI=1S/C10H12FN5O2/c11-1-5-6(2-17)18-10(5)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKeyJLEINEFLKFAUAS-BAJZRUMYSA-N
MW253.24 g/mol
LogP-0.12
Rot. Bonds3

About [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol

[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol (PubChem CID 67783363) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol
PubChem CID67783363
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]1CF
InChIInChI=1S/C10H12FN5O2/c11-1-5-6(2-17)18-10(5)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKeyJLEINEFLKFAUAS-BAJZRUMYSA-N
XLogP-0.12
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-aminopurin-9-yl)-4-(fluoromethyl)-5-(hydroxymethyl)oxolan-3-ol
CID 123403670
[(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-4-(fluoromethyl)-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 118466014
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
[(2R,4R,5S)-4-(6-aminopurin-9-yl)-3,6,7-trioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 176801448

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol (CID 67783363) is [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]1CF.
What is the InChIKey of [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol?
The InChIKey is JLEINEFLKFAUAS-BAJZRUMYSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-1-5-6(2-17)18-10(5)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1.
What are the key properties of [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol?
[(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol has a molecular weight of 253.24 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-4-(6-aminopurin-9-yl)-3-(fluoromethyl)oxetan-2-yl]methanol is sourced from PubChem (CID 67783363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).