2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid

C19H19F3N2O2 — CID 74220713

IUPAC2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-11-15(23-18(24-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(25)26/h5-8,11,14H,1-4,9-10H2,(H,25,26)
InChIKeyWWAYWULFVILSPQ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.37
Rot. Bonds5

About 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid

2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid (PubChem CID 74220713) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid
PubChem CID74220713
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-11-15(23-18(24-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(25)26/h5-8,11,14H,1-4,9-10H2,(H,25,26)
InChIKeyWWAYWULFVILSPQ-UHFFFAOYSA-N
XLogP4.37
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid (CID 74220713) is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid?
The InChIKey is WWAYWULFVILSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)16-11-15(23-18(24-16)14-3-1-2-4-14)9-12-5-7-13(8-6-12)10-17(25)26/h5-8,11,14H,1-4,9-10H2,(H,25,26).
What are the key properties of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid?
2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid has a molecular weight of 364.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 74220713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).