2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol

C19H15ClF3N3O — CID 90112835

IUPAC2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H15ClF3N3O/c20-14-3-1-2-13(10-14)18-25-16(19(21,22)23)11-17(26-18)24-15-6-4-12(5-7-15)8-9-27/h1-7,10-11,27H,8-9H2,(H,24,25,26)
InChIKeyBTEVIWKNAFVXCP-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.09
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 90112835) has the molecular formula C19H15ClF3N3O and a molecular weight of 393.80 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID90112835
Molecular FormulaC19H15ClF3N3O
Molecular Weight393.80 g/mol
Exact Mass393.09
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H15ClF3N3O/c20-14-3-1-2-13(10-14)18-25-16(19(21,22)23)11-17(26-18)24-15-6-4-12(5-7-15)8-9-27/h1-7,10-11,27H,8-9H2,(H,24,25,26)
InChIKeyBTEVIWKNAFVXCP-UHFFFAOYSA-N
XLogP5.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
3-(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl)amino)phenyl)propan-1-ol
CID 74221498
2,4-Pyrimidinediamine, 6-(5-chloro-2-methylphenyl)-N4-(4-(trifluoromethyl)phenyl)-
CID 10022582
2-[[6-(3-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203732
(1R)-2-[[6-[3-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204625
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-yl)amino)phenyl)methanol
CID 74221497
Benzeneacetamide, 4-((2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyrimidinyl)amino)-
CID 77461017
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
3-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)propan-1-ol
CID 90109450
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol (CID 90112835) is 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(C(F)(F)F)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is BTEVIWKNAFVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O/c20-14-3-1-2-13(10-14)18-25-16(19(21,22)23)11-17(26-18)24-15-6-4-12(5-7-15)8-9-27/h1-7,10-11,27H,8-9H2,(H,24,25,26).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 393.80 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 90112835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).