2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

C13H20F3N3O — CID 62745292

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3O/c1-9-11(4-5-17-6-7-20-3)10(2)19-12(18-9)8-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyCNONEXGIDBQCHK-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.98
Rot. Bonds7

About 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 62745292) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID62745292
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C13H20F3N3O/c1-9-11(4-5-17-6-7-20-3)10(2)19-12(18-9)8-13(14,15)16/h17H,4-8H2,1-3H3
InChIKeyCNONEXGIDBQCHK-UHFFFAOYSA-N
XLogP1.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (CID 62745292) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is CNONEXGIDBQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9-11(4-5-17-6-7-20-3)10(2)19-12(18-9)8-13(14,15)16/h17H,4-8H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 291.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62745292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).