2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine

C10H14F3N3O — CID 141316572

IUPAC2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-16(5-6-17-2)7-8-3-4-14-9(15-8)10(11,12)13/h3-4H,5-7H2,1-2H3
InChIKeyXIBPCDMBGLXIPN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.57
Rot. Bonds5

About 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 141316572) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID141316572
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCN(C)Cc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-16(5-6-17-2)7-8-3-4-14-9(15-8)10(11,12)13/h3-4H,5-7H2,1-2H3
InChIKeyXIBPCDMBGLXIPN-UHFFFAOYSA-N
XLogP1.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-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

Related Compounds

(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
(2-Methoxypyrimidin-4-yl)methanamine
CID 55262952
(4-(Difluoromethyl)pyrimidin-2-yl)methanamine hydrochloride
CID 119031436
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
N-(2-methoxyethyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 84591548
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
Methyl 4-(difluoromethyl)pyrimidine-2-carboxylate
CID 89602732

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine (CID 141316572) is 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine is COCCN(C)Cc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is XIBPCDMBGLXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-16(5-6-17-2)7-8-3-4-14-9(15-8)10(11,12)13/h3-4H,5-7H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 141316572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).