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

C24H24F3N3O4 — CID 18448287

IUPAC2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid
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)
InChIKeyHBFDXJXPMJPDGU-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.59
Rot. Bonds10

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

2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid (PubChem CID 18448287) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid
PubChem CID18448287
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC Name2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid
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)
InChIKeyHBFDXJXPMJPDGU-UHFFFAOYSA-N
XLogP4.59
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid 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-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid (CID 18448287) is 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid 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]acetic acid?
The InChIKey is HBFDXJXPMJPDGU-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid?
2-[4-[[2-methoxyethyl-[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]methyl]-2-methylphenoxy]acetic acid has a molecular weight of 475.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 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]acetic acid is sourced from PubChem (CID 18448287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).