2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine

C11H14F3N3O — CID 90405511

IUPAC2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESC[C@@H]1NCCC[C@H]1Oc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-7-9(3-2-4-15-7)18-10-16-5-8(6-17-10)11(12,13)14/h5-7,9,15H,2-4H2,1H3/t7-,9+/m0/s1
InChIKeyIRYXZYBYEAEJKX-IONNQARKSA-N
MW261.25 g/mol
LogP2.01
Rot. Bonds2

About 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine

2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine (PubChem CID 90405511) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine
PubChem CID90405511
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine
SMILESC[C@@H]1NCCC[C@H]1Oc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C11H14F3N3O/c1-7-9(3-2-4-15-7)18-10-16-5-8(6-17-10)11(12,13)14/h5-7,9,15H,2-4H2,1H3/t7-,9+/m0/s1
InChIKeyIRYXZYBYEAEJKX-IONNQARKSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-(piperidin-4-yloxy)pyrimidine
CID 63206054
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
5-[(3-Methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
CID 121516400
trans-(1R,2R)-2-(difluoromethoxy)-N-[(2-ethylpyrimidin-5-yl)methyl]cyclopentan-1-amine
CID 137997851
5-Fluoro-2-(piperidin-4-yloxy)pyrimidine
CID 23133629
2-(3-Methoxypiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58227982
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propan-2-yloxypyrimidin-5-yl)ethanamine
CID 58228246
2-Piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride
CID 67530341
2-Piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine
CID 67530342
2-chloro-N-(3-methoxypropan-2-yl)-5-trifluoromethylpyrimidine-4-amine
CID 86657660
N-(2-methoxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 89930392
(2S,3R)-3-(5-fluoropyrimidin-2-yl)oxy-2-methylpiperidine-1-carbaldehyde
CID 90404710

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine (CID 90405511) is 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine is C[C@@H]1NCCC[C@H]1Oc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is IRYXZYBYEAEJKX-IONNQARKSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-9(3-2-4-15-7)18-10-16-5-8(6-17-10)11(12,13)14/h5-7,9,15H,2-4H2,1H3/t7-,9+/m0/s1.
What are the key properties of 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine?
2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-2-methylpiperidin-3-yl]oxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 90405511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).