2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol

C19H21F3N2O2 — CID 90112950

IUPAC2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)17-12-15(11-14-7-5-13(6-8-14)9-10-25)23-18(24-17)26-16-3-1-2-4-16/h5-8,12,16,25H,1-4,9-11H2
InChIKeyTYOKGMWVPYYBGB-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.94
Rot. Bonds6

About 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol

2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (PubChem CID 90112950) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
PubChem CID90112950
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)17-12-15(11-14-7-5-13(6-8-14)9-10-25)23-18(24-17)26-16-3-1-2-4-16/h5-8,12,16,25H,1-4,9-11H2
InChIKeyTYOKGMWVPYYBGB-UHFFFAOYSA-N
XLogP3.94
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (CID 90112950) is 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol is OCCc1ccc(Cc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The InChIKey is TYOKGMWVPYYBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)17-12-15(11-14-7-5-13(6-8-14)9-10-25)23-18(24-17)26-16-3-1-2-4-16/h5-8,12,16,25H,1-4,9-11H2.
What are the key properties of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol has a molecular weight of 366.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 90112950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).