(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol

C15H20F3N3O2 — CID 170365918

IUPAC(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol
SMILESC[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCC1
InChIInChI=1S/C15H20F3N3O2/c1-8-12(22)10(7-23-13(8)9-3-2-4-9)20-14-19-6-5-11(21-14)15(16,17)18/h5-6,8-10,12-13,22H,2-4,7H2,1H3,(H,19,20,21)/t8-,10+,12+,13+/m1/s1
InChIKeyZUUMHMCLULNKTG-UKWYHXRUSA-N
MW331.34 g/mol
LogP2.47
Rot. Bonds3

About (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol

(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol (PubChem CID 170365918) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol
PubChem CID170365918
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol
SMILESC[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCC1
InChIInChI=1S/C15H20F3N3O2/c1-8-12(22)10(7-23-13(8)9-3-2-4-9)20-14-19-6-5-11(21-14)15(16,17)18/h5-6,8-10,12-13,22H,2-4,7H2,1H3,(H,19,20,21)/t8-,10+,12+,13+/m1/s1
InChIKeyZUUMHMCLULNKTG-UKWYHXRUSA-N
XLogP2.47
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180153
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180234
(2R,3R,4R,5S)-5-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 168087400
[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]methanol
CID 72004361
(1R*,3S*)-7-[4-(trifluoromethyl)-2-pyrimidinyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72870644
(2S)-4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentan-1-ol
CID 95329868
3,3,5-Trimethyl-5-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 53344918
(2R,3R,4R,5S)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180198
(2R,3R,4R,5S)-2-(azidomethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221605
(2R,3R,4R,5S)-2-propyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221610
(2R,3R,4R,5S)-2-ethynyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 167221999
(2R,3R,4R,5R)-2-(azidomethyl)-4-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-3-ol
CID 167222137

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol?
The IUPAC name of (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol (CID 170365918) is (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol?
The canonical SMILES for (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol is C[C@@H]1[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)CO[C@@H]1C1CCC1.
What is the InChIKey of (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol?
The InChIKey is ZUUMHMCLULNKTG-UKWYHXRUSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-8-12(22)10(7-23-13(8)9-3-2-4-9)20-14-19-6-5-11(21-14)15(16,17)18/h5-6,8-10,12-13,22H,2-4,7H2,1H3,(H,19,20,21)/t8-,10+,12+,13+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol?
(2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol has a molecular weight of 331.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-cyclobutyl-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-4-ol is sourced from PubChem (CID 170365918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).