2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine

C11H16F3N3O — CID 62744136

IUPAC2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-8-5-9(7-15-3-4-18-2)17-10(16-8)6-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3
InChIKeyPQTXQFZOPGRREU-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.63
Rot. Bonds6

About 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 62744136) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID62744136
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(CC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-8-5-9(7-15-3-4-18-2)17-10(16-8)6-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3
InChIKeyPQTXQFZOPGRREU-UHFFFAOYSA-N
XLogP1.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.63
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-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine (CID 62744136) is 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1cc(C)nc(CC(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is PQTXQFZOPGRREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-5-9(7-15-3-4-18-2)17-10(16-8)6-11(12,13)14/h5,15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62744136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).