(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol

C13H19FN6O3 — CID 134165851

IUPAC(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESCN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C13H19FN6O3/c1-13(4-21)8(22)6(14)11(23-13)20-5-16-7-9(19(2)3)17-12(15)18-10(7)20/h5-6,8,11,21-22H,4H2,1-3H3,(H2,15,17,18)/t6-,8+,11-,13-/m1/s1
InChIKeyVQWJUBBSVSVMGK-HUHPYQOSSA-N
MW326.33 g/mol
LogP-0.55
Rot. Bonds3

About (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol

(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 134165851) has the molecular formula C13H19FN6O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID134165851
Molecular FormulaC13H19FN6O3
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESCN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C13H19FN6O3/c1-13(4-21)8(22)6(14)11(23-13)20-5-16-7-9(19(2)3)17-12(15)18-10(7)20/h5-6,8,11,21-22H,4H2,1-3H3,(H2,15,17,18)/t6-,8+,11-,13-/m1/s1
InChIKeyVQWJUBBSVSVMGK-HUHPYQOSSA-N
XLogP-0.55
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol with MolForge

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Related Compounds

(2R,3R,4R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165909
(2R,3R,4S,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 134165870
(2R,3R,4S,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 175677766
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-ethyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 71761492
(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
CID 90352589
(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,4R,5R)-5-[2-chloro-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-chloro-6-(dimethylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 159386195
(2R,3R,4R,5R)-5-[2-chloro-6-(methylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 134165879
9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
CID 134165908
2-[2-amino-6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 67431468
[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-2-methyloxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 137482486
(2R,3R,4S,5R)-5-[6-(dimethylamino)-2-fluoropurin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67910456
[(1R,4S)-4-[2-amino-6-(dimethylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
CID 18646989

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (CID 134165851) is (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is CN(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is VQWJUBBSVSVMGK-HUHPYQOSSA-N. The full InChI is InChI=1S/C13H19FN6O3/c1-13(4-21)8(22)6(14)11(23-13)20-5-16-7-9(19(2)3)17-12(15)18-10(7)20/h5-6,8,11,21-22H,4H2,1-3H3,(H2,15,17,18)/t6-,8+,11-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
(2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 326.33 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[2-amino-6-(dimethylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 134165851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).