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

C18H20F3N3O2 — CID 90111717

IUPAC2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-11-16(22-13-7-5-12(6-8-13)9-10-25)24-17(23-15)26-14-3-1-2-4-14/h5-8,11,14,25H,1-4,9-10H2,(H,22,23,24)
InChIKeyWFVRGSLIGHQWLB-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.10
Rot. Bonds6

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

2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 90111717) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID90111717
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)15-11-16(22-13-7-5-12(6-8-13)9-10-25)24-17(23-15)26-14-3-1-2-4-14/h5-8,11,14,25H,1-4,9-10H2,(H,22,23,24)
InChIKeyWFVRGSLIGHQWLB-UHFFFAOYSA-N
XLogP4.10
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (CID 90111717) is 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is WFVRGSLIGHQWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)15-11-16(22-13-7-5-12(6-8-13)9-10-25)24-17(23-15)26-14-3-1-2-4-14/h5-8,11,14,25H,1-4,9-10H2,(H,22,23,24).
What are the key properties of 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 367.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyloxy-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 90111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).