[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol

C12H16FN5O3 — CID 57116771

IUPAC[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1F
InChIInChI=1S/C12H16FN5O3/c1-2-20-10-8-9(16-12(14)17-10)18(5-15-8)11-7(13)3-6(4-19)21-11/h5-7,11,19H,2-4H2,1H3,(H2,14,16,17)/t6-,7+,11+/m0/s1
InChIKeyJEGAXNYIAYUYJJ-MVKOHCKWSA-N
MW297.29 g/mol
LogP0.43
Rot. Bonds4

About [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol

[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol (PubChem CID 57116771) has the molecular formula C12H16FN5O3 and a molecular weight of 297.29 g/mol. Its IUPAC name is [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
PubChem CID57116771
Molecular FormulaC12H16FN5O3
Molecular Weight297.29 g/mol
Exact Mass297.12
IUPAC Name[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1F
InChIInChI=1S/C12H16FN5O3/c1-2-20-10-8-9(16-12(14)17-10)18(5-15-8)11-7(13)3-6(4-19)21-11/h5-7,11,19H,2-4H2,1H3,(H2,14,16,17)/t6-,7+,11+/m0/s1
InChIKeyJEGAXNYIAYUYJJ-MVKOHCKWSA-N
XLogP0.43
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-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

(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90445106
6-chloro-9-[(2R,3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-2-amine
CID 157481139
2-amino-9-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135499692
[[6-ethoxy-9-[5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-2-yl]amino]thallium
CID 144654161
2-[5-(2-amino-6-ethoxypurin-9-yl)-4-methyloxolan-2-yl]ethoxy-hydroxy-oxophosphanium
CID 123836908
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] acetate
CID 54449040
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
ethane;[5-[6-ethoxy-2-(propylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;fluoromethane
CID 144828838
(2R,3S,4R,5R)-4-amino-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 66576345

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol (CID 57116771) is [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol is CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1F.
What is the InChIKey of [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol?
The InChIKey is JEGAXNYIAYUYJJ-MVKOHCKWSA-N. The full InChI is InChI=1S/C12H16FN5O3/c1-2-20-10-8-9(16-12(14)17-10)18(5-15-8)11-7(13)3-6(4-19)21-11/h5-7,11,19H,2-4H2,1H3,(H2,14,16,17)/t6-,7+,11+/m0/s1.
What are the key properties of [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol?
[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol has a molecular weight of 297.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 57116771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).