(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C16H16F3N3O — CID 100841353

IUPAC(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16F3N3O/c1-11-9-22(10-13(23-11)12-5-3-2-4-6-12)15-20-8-7-14(21-15)16(17,18)19/h2-8,11,13H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyOHKKTYGFIBPYNZ-YPMHNXCESA-N
MW323.32 g/mol
LogP3.46
Rot. Bonds2

About (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 100841353) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID100841353
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H16F3N3O/c1-11-9-22(10-13(23-11)12-5-3-2-4-6-12)15-20-8-7-14(21-15)16(17,18)19/h2-8,11,13H,9-10H2,1H3/t11-,13+/m1/s1
InChIKeyOHKKTYGFIBPYNZ-YPMHNXCESA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274545
N-methyl-N-[(1R,5S)-3-[4-(trifluoromethyl)pyrimidin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamoyl iodide
CID 121338469
(3S,4S)-4-(trifluoromethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122064060
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
5-[4-(trifluoromethyl)pyrimidin-2-yl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146077895
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
CID 155974206
2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 133363523
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 166068939
2-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 31535193
2-(4-methylsulfonylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 36615862

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 100841353) is (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is OHKKTYGFIBPYNZ-YPMHNXCESA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-11-9-22(10-13(23-11)12-5-3-2-4-6-12)15-20-8-7-14(21-15)16(17,18)19/h2-8,11,13H,9-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 323.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 100841353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).