5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol

C12H18FN5O3 — CID 166922439

IUPAC5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol
SMILESCOC(C(O)C(C)O)C(C)n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C12H18FN5O3/c1-5(9(21-3)8(20)6(2)19)18-4-15-7-10(14)16-12(13)17-11(7)18/h4-6,8-9,19-20H,1-3H3,(H2,14,16,17)
InChIKeyGXGGADYOIUDCKR-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.13
Rot. Bonds5

About 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol

5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol (PubChem CID 166922439) has the molecular formula C12H18FN5O3 and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol.

Molecular Properties

Compound Name5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol
PubChem CID166922439
Molecular FormulaC12H18FN5O3
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Name5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol
SMILESCOC(C(O)C(C)O)C(C)n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C12H18FN5O3/c1-5(9(21-3)8(20)6(2)19)18-4-15-7-10(14)16-12(13)17-11(7)18/h4-6,8-9,19-20H,1-3H3,(H2,14,16,17)
InChIKeyGXGGADYOIUDCKR-UHFFFAOYSA-N
XLogP-0.13
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol with MolForge

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Related Compounds

ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
ethyl N-[1-(6-amino-2-fluoropurin-9-yl)-2,2,2-trichloroethyl]carbamate
CID 155539118
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
2-[3-(6-amino-2-fluoropurin-9-yl)-1-hydroxyprop-2-ynyl]oxolan-3-ol
CID 177255435
9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
CID 146232455
2-[(2R,3R,4S)-4-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxy-2-methoxybutoxy]propanedioic acid
CID 166843793
(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
CID 42553034
9-[(5R)-4-butan-2-yl-5-methylcyclopenten-1-yl]-2-fluoropurin-6-amine
CID 70880252
(2R,3R)-3-(2,6-diaminopurin-9-yl)-3-(2-hydroxyethoxy)-2-methoxypropan-1-ol
CID 168757086
2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154716223
(2R,3R,4R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46936980
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol?
The IUPAC name of 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol (CID 166922439) is 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol.
What is the SMILES notation for 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol?
The canonical SMILES for 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol is COC(C(O)C(C)O)C(C)n1cnc2c(N)nc(F)nc21.
What is the InChIKey of 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol?
The InChIKey is GXGGADYOIUDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O3/c1-5(9(21-3)8(20)6(2)19)18-4-15-7-10(14)16-12(13)17-11(7)18/h4-6,8-9,19-20H,1-3H3,(H2,14,16,17).
What are the key properties of 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol?
5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol has a molecular weight of 299.31 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-fluoropurin-9-yl)-4-methoxyhexane-2,3-diol is sourced from PubChem (CID 166922439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).