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

C18H20F3N3O — CID 90112298

IUPAC2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-11-16(24-17(23-15)13-3-1-2-4-13)22-14-7-5-12(6-8-14)9-10-25/h5-8,11,13,25H,1-4,9-10H2,(H,22,23,24)
InChIKeyTVGCQAADGSUTNV-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.43
Rot. Bonds5

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

2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 90112298) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID90112298
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C18H20F3N3O/c19-18(20,21)15-11-16(24-17(23-15)13-3-1-2-4-13)22-14-7-5-12(6-8-14)9-10-25/h5-8,11,13,25H,1-4,9-10H2,(H,22,23,24)
InChIKeyTVGCQAADGSUTNV-UHFFFAOYSA-N
XLogP4.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Hydroxy-propyl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
CID 11666681
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
(4S)-4-[2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967539
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)acetamide
CID 90111967
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112835
[3-[(6-Methyl-2-phenylpyrimidin-4-yl)amino]phenyl]methanol
CID 162653402
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 74220714
3-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)-1,1,1-trifluoropropan-2-ol
CID 90109898
2-(4-((2-(Cyclopentyloxy)-6-(trifluoromethyl)pyrimidin-4-yl)methyl)phenyl)ethanol
CID 90112950
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)-3,3,3-trifluoropropan-1-ol
CID 118037155
2-(4-((2-Cyclopentyl-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90109870

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (CID 90112298) is 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(C(F)(F)F)nc(C3CCCC3)n2)cc1.
What is the InChIKey of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is TVGCQAADGSUTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c19-18(20,21)15-11-16(24-17(23-15)13-3-1-2-4-13)22-14-7-5-12(6-8-14)9-10-25/h5-8,11,13,25H,1-4,9-10H2,(H,22,23,24).
What are the key properties of 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 351.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 90112298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).