9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine

C20H24FN5O2 — CID 90323864

IUPAC9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(N)nc32)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C20H24FN5O2/c1-4-14-12(2)20(3,21)18(28-14)26-11-23-15-16(26)24-19(22)25-17(15)27-10-13-8-6-5-7-9-13/h5-9,11-12,14,18H,4,10H2,1-3H3,(H2,22,24,25)/t12-,14-,18-,20-/m1/s1
InChIKeyZJTURNYZMWYVHX-OKMFHSMYSA-N
MW385.44 g/mol
LogP3.66
Rot. Bonds5

About 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine

9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine (PubChem CID 90323864) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine.

Molecular Properties

Compound Name9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
PubChem CID90323864
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(N)nc32)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C20H24FN5O2/c1-4-14-12(2)20(3,21)18(28-14)26-11-23-15-16(26)24-19(22)25-17(15)27-10-13-8-6-5-7-9-13/h5-9,11-12,14,18H,4,10H2,1-3H3,(H2,22,24,25)/t12-,14-,18-,20-/m1/s1
InChIKeyZJTURNYZMWYVHX-OKMFHSMYSA-N
XLogP3.66
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine with MolForge

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Related Compounds

(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-4-methyl-2-(phenylperoxymethyl)oxolan-3-ol
CID 118054036
(2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 118391681
(2R,4R,5R)-2-(2-amino-6-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 71313823
[5-(2-amino-6-ethoxypurin-9-yl)-3-ethenyl-4-fluoro-4-methyloxolan-2-yl]methanol
CID 123287501
benzyl N-[2-amino-9-[(2R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]purin-6-yl]carbamate
CID 90307046
[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 53466215
(2-amino-6-phenylmethoxypurin-9-yl)methanol
CID 91583081
9-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-phenylmethoxypurin-2-amine
CID 101368462
(2R)-2-[[[(2R,3R,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoic acid
CID 118054049
(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 90799611
[(3S,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-5-ethyl-3-ethynyl-4-methyloxolan-3-yl] benzoate
CID 118594335
(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 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine?
The IUPAC name of 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine (CID 90323864) is 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine.
What is the SMILES notation for 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine?
The canonical SMILES for 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine is CC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc(N)nc32)[C@](C)(F)[C@@H]1C.
What is the InChIKey of 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine?
The InChIKey is ZJTURNYZMWYVHX-OKMFHSMYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-4-14-12(2)20(3,21)18(28-14)26-11-23-15-16(26)24-19(22)25-17(15)27-10-13-8-6-5-7-9-13/h5-9,11-12,14,18H,4,10H2,1-3H3,(H2,22,24,25)/t12-,14-,18-,20-/m1/s1.
What are the key properties of 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine?
9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine has a molecular weight of 385.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-yl]-6-phenylmethoxypurin-2-amine is sourced from PubChem (CID 90323864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).