4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

C20H24F3N3O2 — CID 45222570

IUPAC4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C20H24F3N3O2/c1-27-7-5-19-24-11-16(12-25-19)13-26-6-8-28-18(14-26)10-15-3-2-4-17(9-15)20(21,22)23/h2-4,9,11-12,18H,5-8,10,13-14H2,1H3
InChIKeyMPBKWHKNWOUQGE-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.13
Rot. Bonds7

About 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine

4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 45222570) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID45222570
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOCCc1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C20H24F3N3O2/c1-27-7-5-19-24-11-16(12-25-19)13-26-6-8-28-18(14-26)10-15-3-2-4-17(9-15)20(21,22)23/h2-4,9,11-12,18H,5-8,10,13-14H2,1H3
InChIKeyMPBKWHKNWOUQGE-UHFFFAOYSA-N
XLogP3.13
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 45222570) is 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is COCCc1ncc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is MPBKWHKNWOUQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-27-7-5-19-24-11-16(12-25-19)13-26-6-8-28-18(14-26)10-15-3-2-4-17(9-15)20(21,22)23/h2-4,9,11-12,18H,5-8,10,13-14H2,1H3.
What are the key properties of 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 395.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 45222570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).