2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

C21H19F3N4O — CID 133354297

IUPAC2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1ccccc1C1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C21H19F3N4O/c1-14-6-2-3-7-15(14)17-13-28(10-11-29-17)19-12-18(21(22,23)24)26-20(27-19)16-8-4-5-9-25-16/h2-9,12,17H,10-11,13H2,1H3
InChIKeyPIOAATLSFJQCGE-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.44
Rot. Bonds3

About 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 133354297) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID133354297
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1ccccc1C1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1
InChIInChI=1S/C21H19F3N4O/c1-14-6-2-3-7-15(14)17-13-28(10-11-29-17)19-12-18(21(22,23)24)26-20(27-19)16-8-4-5-9-25-16/h2-9,12,17H,10-11,13H2,1H3
InChIKeyPIOAATLSFJQCGE-UHFFFAOYSA-N
XLogP4.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 133354297) is 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is Cc1ccccc1C1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCO1.
What is the InChIKey of 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is PIOAATLSFJQCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-14-6-2-3-7-15(14)17-13-28(10-11-29-17)19-12-18(21(22,23)24)26-20(27-19)16-8-4-5-9-25-16/h2-9,12,17H,10-11,13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 400.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 133354297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).