(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol

C17H18F3N3O3 — CID 171556816

IUPAC(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol
SMILESOC[C@H]1O[C@H](c2ccccc2)[C@H](Nc2cncc(C(F)(F)F)n2)C[C@H]1O
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)14-7-21-8-15(23-14)22-11-6-12(25)13(9-24)26-16(11)10-4-2-1-3-5-10/h1-5,7-8,11-13,16,24-25H,6,9H2,(H,22,23)/t11-,12-,13-,16-/m1/s1
InChIKeyBSGFNZCQXYMXRP-BRXULGCHSA-N
MW369.34 g/mol
LogP2.16
Rot. Bonds4

About (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol

(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol (PubChem CID 171556816) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol
PubChem CID171556816
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol
SMILESOC[C@H]1O[C@H](c2ccccc2)[C@H](Nc2cncc(C(F)(F)F)n2)C[C@H]1O
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)14-7-21-8-15(23-14)22-11-6-12(25)13(9-24)26-16(11)10-4-2-1-3-5-10/h1-5,7-8,11-13,16,24-25H,6,9H2,(H,22,23)/t11-,12-,13-,16-/m1/s1
InChIKeyBSGFNZCQXYMXRP-BRXULGCHSA-N
XLogP2.16
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol with MolForge

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 68325436
US9790230, Example 30
CID 129115605
US9790230, Example 22
CID 129115640
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 68325437
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 156081877
N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 156081920
N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 156081921
N-[(3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 167221512
N-[(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]-3-(trifluoromethyl)pyrazin-2-amine
CID 167221768
(2R,3R,4R,5S)-2-[(N,3-dimethylanilino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221832
benzyl 2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-2-oxoethoxy]ethoxy]acetate
CID 167221983
N-[(3S,4R,5R,6R)-5-butoxy-6-(butoxymethyl)-4-phenylmethoxyoxan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 168087388

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol?
The IUPAC name of (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol (CID 171556816) is (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol.
What is the SMILES notation for (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol?
The canonical SMILES for (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol is OC[C@H]1O[C@H](c2ccccc2)[C@H](Nc2cncc(C(F)(F)F)n2)C[C@H]1O.
What is the InChIKey of (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol?
The InChIKey is BSGFNZCQXYMXRP-BRXULGCHSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)14-7-21-8-15(23-14)22-11-6-12(25)13(9-24)26-16(11)10-4-2-1-3-5-10/h1-5,7-8,11-13,16,24-25H,6,9H2,(H,22,23)/t11-,12-,13-,16-/m1/s1.
What are the key properties of (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol?
(2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol has a molecular weight of 369.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6R)-2-(hydroxymethyl)-6-phenyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-3-ol is sourced from PubChem (CID 171556816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).