2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate

C24H23F3N3O4- — CID 18448363

IUPAC2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate
SMILESCOCCN(Cc1ccc(OCC(=O)[O-])c(C)c1)c1nccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H24F3N3O4/c1-16-13-17(3-8-21(16)34-15-22(31)32)14-30(11-12-33-2)23-28-10-9-20(29-23)18-4-6-19(7-5-18)24(25,26)27/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)/p-1
InChIKeyHBFDXJXPMJPDGU-UHFFFAOYSA-M
MW474.46 g/mol
LogP3.25
Rot. Bonds10

About 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate

2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate (PubChem CID 18448363) has the molecular formula C24H23F3N3O4- and a molecular weight of 474.46 g/mol. Its IUPAC name is 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate.

Molecular Properties

Compound Name2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate
PubChem CID18448363
Molecular FormulaC24H23F3N3O4-
Molecular Weight474.46 g/mol
Exact Mass474.16
IUPAC Name2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate
SMILESCOCCN(Cc1ccc(OCC(=O)[O-])c(C)c1)c1nccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H24F3N3O4/c1-16-13-17(3-8-21(16)34-15-22(31)32)14-30(11-12-33-2)23-28-10-9-20(29-23)18-4-6-19(7-5-18)24(25,26)27/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)/p-1
InChIKeyHBFDXJXPMJPDGU-UHFFFAOYSA-M
XLogP3.25
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate with MolForge

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Related Compounds

ethyl 2-[2-ethyl-4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]phenoxy]acetate
CID 58622855
2-[4-[[N-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetate
CID 18448376
2-[4-[[N-(2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetic acid
CID 18448360
2-[2-methyl-4-[[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methylsulfanyl]phenoxy]acetate
CID 142816017
ethyl 2-[4-[[butyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]-2-methylphenoxy]-2-methylpropanoate
CID 18448411
ethyl 2-methyl-2-[2-methyl-4-[[(4-methylphenyl)methyl-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]phenoxy]propanoate
CID 58622899
2-[4-[2-[4-(carboxylatomethoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]acetate
CID 4228987
2-[4-[[butyl-[5-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]methyl]-2-methylphenoxy]acetate
CID 18448385
N-(2-methoxyethyl)-N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 119075124
2-[4-[[N-butanoyl-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetic acid
CID 18448320
2-[4-[[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]methylsulfanyl]-2-methylphenoxy]acetic acid
CID 88941524
2-[4-[[(2-methoxyphenyl)methyl-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]methyl]-2-methylphenoxy]-2-methylpropanoic acid
CID 58907001

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate?
The IUPAC name of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate (CID 18448363) is 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate.
What is the SMILES notation for 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate?
The canonical SMILES for 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate is COCCN(Cc1ccc(OCC(=O)[O-])c(C)c1)c1nccc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate?
The InChIKey is HBFDXJXPMJPDGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24F3N3O4/c1-16-13-17(3-8-21(16)34-15-22(31)32)14-30(11-12-33-2)23-28-10-9-20(29-23)18-4-6-19(7-5-18)24(25,26)27/h3-10,13H,11-12,14-15H2,1-2H3,(H,31,32)/p-1.
What are the key properties of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate?
2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate has a molecular weight of 474.46 g/mol, XLogP of 3.25, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetate is sourced from PubChem (CID 18448363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).