[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine

C11H14FN5O — CID 158052608

IUPAC[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine
SMILESC[C@H]1[C@@H](F)[C@H](n2cnc3cncnc32)O[C@@H]1CN
InChIInChI=1S/C11H14FN5O/c1-6-8(2-13)18-11(9(6)12)17-5-16-7-3-14-4-15-10(7)17/h3-6,8-9,11H,2,13H2,1H3/t6-,8-,9-,11-/m1/s1
InChIKeyFDURYGSLWOUTBL-PNHWDRBUSA-N
MW251.27 g/mol
LogP0.66
Rot. Bonds2

About [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine

[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine (PubChem CID 158052608) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine
PubChem CID158052608
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine
SMILESC[C@H]1[C@@H](F)[C@H](n2cnc3cncnc32)O[C@@H]1CN
InChIInChI=1S/C11H14FN5O/c1-6-8(2-13)18-11(9(6)12)17-5-16-7-3-14-4-15-10(7)17/h3-6,8-9,11H,2,13H2,1H3/t6-,8-,9-,11-/m1/s1
InChIKeyFDURYGSLWOUTBL-PNHWDRBUSA-N
XLogP0.66
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
[(3aR,4R,6R,6aR)-2,2-dimethyl-4-purin-9-yl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
CID 176521859
(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-5-purin-9-yloxolan-3-ol
CID 159661828
[(2R,3R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl dihydrogen phosphate
CID 163766650
9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]-6-N,6-N-dimethylpurine-2,6-diamine
CID 134165908
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
5-(2-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 19934353
[4-hydroxy-2-(methoxymethyl)-5-purin-9-yloxolan-3-yl]oxy-methylphosphinic acid
CID 76783715
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 21145488
(2R,3R,4R,5R)-2-[[[(Z)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
CID 25141776
9-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]purine
CID 174181937

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine?
The IUPAC name of [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine (CID 158052608) is [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine.
What is the SMILES notation for [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine?
The canonical SMILES for [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine is C[C@H]1[C@@H](F)[C@H](n2cnc3cncnc32)O[C@@H]1CN.
What is the InChIKey of [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine?
The InChIKey is FDURYGSLWOUTBL-PNHWDRBUSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-6-8(2-13)18-11(9(6)12)17-5-16-7-3-14-4-15-10(7)17/h3-6,8-9,11H,2,13H2,1H3/t6-,8-,9-,11-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine?
[(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine has a molecular weight of 251.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-4-fluoro-3-methyl-5-purin-9-yloxolan-2-yl]methanamine is sourced from PubChem (CID 158052608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).