2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine

C10H14F3N3O — CID 62758075

IUPAC2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CC(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O/c1-17-3-2-14-5-8-6-15-9(16-7-8)4-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyZDSJSURSKUWTBU-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.32
Rot. Bonds6

About 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62758075) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID62758075
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(CC(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O/c1-17-3-2-14-5-8-6-15-9(16-7-8)4-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyZDSJSURSKUWTBU-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine (CID 62758075) is 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine is COCCNCc1cnc(CC(F)(F)F)nc1.
What is the InChIKey of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is ZDSJSURSKUWTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-17-3-2-14-5-8-6-15-9(16-7-8)4-10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62758075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).