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

C19H16F3N3O — CID 70963358

IUPAC1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESOC(CNc1cc(-c2cccc(C(F)(F)F)c2)ncn1)c1ccccc1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-8-4-7-14(9-15)16-10-18(25-12-24-16)23-11-17(26)13-5-2-1-3-6-13/h1-10,12,17,26H,11H2,(H,23,24,25)
InChIKeyGJLUUROODWWIPG-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.31
Rot. Bonds5

About 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol

1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol (PubChem CID 70963358) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
PubChem CID70963358
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
SMILESOC(CNc1cc(-c2cccc(C(F)(F)F)c2)ncn1)c1ccccc1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-8-4-7-14(9-15)16-10-18(25-12-24-16)23-11-17(26)13-5-2-1-3-6-13/h1-10,12,17,26H,11H2,(H,23,24,25)
InChIKeyGJLUUROODWWIPG-UHFFFAOYSA-N
XLogP4.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol (CID 70963358) is 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol is OC(CNc1cc(-c2cccc(C(F)(F)F)c2)ncn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is GJLUUROODWWIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)15-8-4-7-14(9-15)16-10-18(25-12-24-16)23-11-17(26)13-5-2-1-3-6-13/h1-10,12,17,26H,11H2,(H,23,24,25).
What are the key properties of 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol?
1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 359.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 70963358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).