(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C15H15F3N4O3 — CID 171558842

IUPAC(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ncccn2)C[C@@H]1O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)11-3-1-4-12(21-11)25-10-8-22(7-9(23)13(10)24)14-19-5-2-6-20-14/h1-6,9-10,13,23-24H,7-8H2/t9-,10-,13-/m0/s1
InChIKeyVIZSJNHFIASTCT-KWBADKCTSA-N
MW356.30 g/mol
LogP0.88
Rot. Bonds3

About (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171558842) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171558842
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESO[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ncccn2)C[C@@H]1O
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)11-3-1-4-12(21-11)25-10-8-22(7-9(23)13(10)24)14-19-5-2-6-20-14/h1-6,9-10,13,23-24H,7-8H2/t9-,10-,13-/m0/s1
InChIKeyVIZSJNHFIASTCT-KWBADKCTSA-N
XLogP0.88
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

4-Morpholin-4-yl-6-(phenoxymethyl)-2-pyridin-2-yl-pyrimidine
CID 58137077
2-Pyridin-2-yl-4-(2,2,2-trifluoroethoxy)-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
CID 127038403
1-Phenoxy-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]propan-2-ol
CID 2795914
4-(Hydroxymethyl)-1-{5-methyl-6-[(2-methylpyridin-3-YL)oxy]pyrimidin-4-YL}piperidin-4-OL
CID 56743986
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-3-ol
CID 110146601
1-[2-Pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidin-4-yl]azetidin-3-ol
CID 127040723
(S)-(6-(pyrimidin-2-yl)-3-(3-(5-(trifluoromethyl)pyridin-2-yloxy)pyrrolidin-1-yl)pyridin-2-yl)methanol
CID 156815420
1-(4-Fluorophenoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 2795665
trans-4-Ethoxy-1-{5-methyl-6-[(2-methylpyridin-3-yl)oxy]pyrimidin-4-yl}pyrrolidin-3-ol
CID 91771010
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97419581
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97419624
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-9-(5-fluoropyrimidin-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 97419625

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171558842) is (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is O[C@@H]1[C@@H](Oc2cccc(C(F)(F)F)n2)CN(c2ncccn2)C[C@@H]1O.
What is the InChIKey of (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is VIZSJNHFIASTCT-KWBADKCTSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)11-3-1-4-12(21-11)25-10-8-22(7-9(23)13(10)24)14-19-5-2-6-20-14/h1-6,9-10,13,23-24H,7-8H2/t9-,10-,13-/m0/s1.
What are the key properties of (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 356.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-pyrimidin-2-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171558842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).