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

C19H21F3N2O — CID 74220714

IUPAC2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-12-16(23-18(24-17)15-3-1-2-4-15)11-14-7-5-13(6-8-14)9-10-25/h5-8,12,15,25H,1-4,9-11H2
InChIKeySUMYPGHDSVHLKD-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.28
Rot. Bonds5

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

2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (PubChem CID 74220714) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
PubChem CID74220714
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol
SMILESOCCc1ccc(Cc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-12-16(23-18(24-17)15-3-1-2-4-15)11-14-7-5-13(6-8-14)9-10-25/h5-8,12,15,25H,1-4,9-11H2
InChIKeySUMYPGHDSVHLKD-UHFFFAOYSA-N
XLogP4.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)-propan-1-ol
CID 11288025
4-(3-Hydroxy-propyl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
CID 11666681
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
2-(4-((2-(Cyclopentyloxy)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90111717
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112298
5-(2,6-Diamino-5-phenyl-pyrimidin-4-yl)pentan-1-ol
CID 44423944
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)acetic acid
CID 74220713
US11401286, Example 205
CID 90109857
2-(4-((2-(Cyclopentyloxy)-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)acetic acid
CID 90112918
2-(4-((2-(Cyclopentyloxy)-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 90112950
2-(4-((2-Cyclopentyl-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90109870
2-(4-((2-Cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)ethanol
CID 90338549

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol (CID 74220714) is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol is OCCc1ccc(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]ethanol?
The InChIKey is SUMYPGHDSVHLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)17-12-16(23-18(24-17)15-3-1-2-4-15)11-14-7-5-13(6-8-14)9-10-25/h5-8,12,15,25H,1-4,9-11H2.
What are the key properties of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol?
2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]phenyl]ethanol has a molecular weight of 350.38 g/mol, XLogP of 4.28, 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]ethanol is sourced from PubChem (CID 74220714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).