2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol

C15H24F3N3O4 — CID 177015702

IUPAC2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
SMILESCCC(C)C1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O.CO
InChIInChI=1S/C14H20F3N3O3.CH4O/c1-3-7(2)13-12(22)11(21)8(6-23-13)19-10-5-18-4-9(20-10)14(15,16)17;1-2/h4-5,7-8,11-13,21-22H,3,6H2,1-2H3,(H,19,20);2H,1H3
InChIKeyCSUDLEWYYHXORS-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.05
Rot. Bonds4

About 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol

2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol (PubChem CID 177015702) has the molecular formula C15H24F3N3O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol.

Molecular Properties

Compound Name2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
PubChem CID177015702
Molecular FormulaC15H24F3N3O4
Molecular Weight367.37 g/mol
Exact Mass367.17
IUPAC Name2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol
SMILESCCC(C)C1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O.CO
InChIInChI=1S/C14H20F3N3O3.CH4O/c1-3-7(2)13-12(22)11(21)8(6-23-13)19-10-5-18-4-9(20-10)14(15,16)17;1-2/h4-5,7-8,11-13,21-22H,3,6H2,1-2H3,(H,19,20);2H,1H3
InChIKeyCSUDLEWYYHXORS-UHFFFAOYSA-N
XLogP1.05
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167408590
(5S)-2-[4-(cyclobutylmethyl)cyclohexyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 166975415
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]formamide
CID 167221338
(2R,3R,4R,5S)-2-[[(4-cyclopentylcyclohexyl)amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221414
(2R,3R,4R,5S)-2-[[4-[3-(cyclopentylmethyl)cyclopentyl]piperazin-1-yl]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221415
2-[2-(2-cyclopentyl-2-oxoethoxy)ethoxy]-N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]acetamide
CID 167221417
(3R,4R,5S)-2-[[3-(2-cyclobutylethyl)cyclobutyl]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221471
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221498
(2R,3R,4R,5S)-2-(piperidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221554
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The IUPAC name of 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol (CID 177015702) is 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol.
What is the SMILES notation for 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The canonical SMILES for 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol is CCC(C)C1OCC(Nc2cncc(C(F)(F)F)n2)C(O)C1O.CO.
What is the InChIKey of 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
The InChIKey is CSUDLEWYYHXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3.CH4O/c1-3-7(2)13-12(22)11(21)8(6-23-13)19-10-5-18-4-9(20-10)14(15,16)17;1-2/h4-5,7-8,11-13,21-22H,3,6H2,1-2H3,(H,19,20);2H,1H3.
What are the key properties of 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol?
2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol has a molecular weight of 367.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol;methanol is sourced from PubChem (CID 177015702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).