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

C13H12F3N3O2 — CID 756551

IUPAC4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11-8-9(10-2-1-5-21-10)17-12(18-11)19-3-6-20-7-4-19/h1-2,5,8H,3-4,6-7H2
InChIKeyKYGIEDUXLWZPNZ-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.59
Rot. Bonds2

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

4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 756551) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID756551
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1cc(-c2ccco2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11-8-9(10-2-1-5-21-10)17-12(18-11)19-3-6-20-7-4-19/h1-2,5,8H,3-4,6-7H2
InChIKeyKYGIEDUXLWZPNZ-UHFFFAOYSA-N
XLogP2.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 756551) is 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1cc(-c2ccco2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is KYGIEDUXLWZPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)11-8-9(10-2-1-5-21-10)17-12(18-11)19-3-6-20-7-4-19/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 299.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 756551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).