2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine

C9H12F3N3O — CID 83896402

IUPAC2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine
SMILESCNCCc1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-4-3-6-5-7(16-2)15-8(14-6)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyJHCJUPFZHPHZES-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.27
Rot. Bonds4

About 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine

2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine (PubChem CID 83896402) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine
PubChem CID83896402
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine
SMILESCNCCc1cc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-13-4-3-6-5-7(16-2)15-8(14-6)9(10,11)12/h5,13H,3-4H2,1-2H3
InChIKeyJHCJUPFZHPHZES-UHFFFAOYSA-N
XLogP1.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine 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-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine (CID 83896402) is 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine is CNCCc1cc(OC)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine?
The InChIKey is JHCJUPFZHPHZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-4-3-6-5-7(16-2)15-8(14-6)9(10,11)12/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine?
2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(trifluoromethyl)pyrimidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 83896402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).