(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol

C15H21F4N3O3 — CID 177015429

IUPAC(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol
SMILESCC(C)NC[C@H]1OC[C@H](Nc2nc(C(F)(F)F)ccc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21F4N3O3/c1-7(2)20-5-10-13(24)12(23)9(6-25-10)21-14-8(16)3-4-11(22-14)15(17,18)19/h3-4,7,9-10,12-13,20,23-24H,5-6H2,1-2H3,(H,21,22)/t9-,10+,12+,13-/m0/s1
InChIKeyATJKYEXNACDVNL-YGNMPJRFSA-N
MW367.34 g/mol
LogP1.14
Rot. Bonds5

About (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol

(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol (PubChem CID 177015429) has the molecular formula C15H21F4N3O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol
PubChem CID177015429
Molecular FormulaC15H21F4N3O3
Molecular Weight367.34 g/mol
Exact Mass367.15
IUPAC Name(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol
SMILESCC(C)NC[C@H]1OC[C@H](Nc2nc(C(F)(F)F)ccc2F)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H21F4N3O3/c1-7(2)20-5-10-13(24)12(23)9(6-25-10)21-14-8(16)3-4-11(22-14)15(17,18)19/h3-4,7,9-10,12-13,20,23-24H,5-6H2,1-2H3,(H,21,22)/t9-,10+,12+,13-/m0/s1
InChIKeyATJKYEXNACDVNL-YGNMPJRFSA-N
XLogP1.14
TPSA86.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(2R,3R,4R,5R,6R)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 156818522
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 165180199
(2R,3R,4R,5S)-5-[(3,5-difluoro-2-pyridinyl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975282
(2R,3R,4R,5R,6S)-5-[(6-fluoro-2-pyridinyl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 167408457
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
N-[(4-methoxyoxan-4-yl)methyl]-6-methylpyridin-2-amine
CID 91660937
(3R,4S)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 164629278
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887
N-((6,6-dimethyl-1,4-dioxan-2-yl)methyl)-3,6-difluoropyridin-2-amine
CID 67043237

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol (CID 177015429) is (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol is CC(C)NC[C@H]1OC[C@H](Nc2nc(C(F)(F)F)ccc2F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol?
The InChIKey is ATJKYEXNACDVNL-YGNMPJRFSA-N. The full InChI is InChI=1S/C15H21F4N3O3/c1-7(2)20-5-10-13(24)12(23)9(6-25-10)21-14-8(16)3-4-11(22-14)15(17,18)19/h3-4,7,9-10,12-13,20,23-24H,5-6H2,1-2H3,(H,21,22)/t9-,10+,12+,13-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol?
(2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol has a molecular weight of 367.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2-[(propan-2-ylamino)methyl]oxane-3,4-diol is sourced from PubChem (CID 177015429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).