4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

C11H14F3N3O — CID 2745463

IUPAC4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1nc(C(F)(F)F)nc(N2CCOCC2)c1C
InChIInChI=1S/C11H14F3N3O/c1-7-8(2)15-10(11(12,13)14)16-9(7)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyJKKHZMVCHUXJEU-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.95
Rot. Bonds1

About 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine

4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 2745463) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID2745463
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCc1nc(C(F)(F)F)nc(N2CCOCC2)c1C
InChIInChI=1S/C11H14F3N3O/c1-7-8(2)15-10(11(12,13)14)16-9(7)17-3-5-18-6-4-17/h3-6H2,1-2H3
InChIKeyJKKHZMVCHUXJEU-UHFFFAOYSA-N
XLogP1.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 2745463) is 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is Cc1nc(C(F)(F)F)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is JKKHZMVCHUXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-8(2)15-10(11(12,13)14)16-9(7)17-3-5-18-6-4-17/h3-6H2,1-2H3.
What are the key properties of 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 261.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 2745463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).