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

C13H12F3N3OS — CID 756560

IUPAC4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)11-8-9(10-2-1-7-21-10)17-12(18-11)19-3-5-20-6-4-19/h1-2,7-8H,3-6H2
InChIKeyXKXUWIIAACKXEG-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.06
Rot. Bonds2

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

4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 756560) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID756560
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)11-8-9(10-2-1-7-21-10)17-12(18-11)19-3-5-20-6-4-19/h1-2,7-8H,3-6H2
InChIKeyXKXUWIIAACKXEG-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 756560) is 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1cc(-c2cccs2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is XKXUWIIAACKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c14-13(15,16)11-8-9(10-2-1-7-21-10)17-12(18-11)19-3-5-20-6-4-19/h1-2,7-8H,3-6H2.
What are the key properties of 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 315.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 756560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).