5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one

C21H19F3N2O2 — CID 91924250

IUPAC5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1CCO
InChIInChI=1S/C21H19F3N2O2/c1-14-18(10-11-27)20(28)26(19(25-14)16-7-3-2-4-8-16)13-15-6-5-9-17(12-15)21(22,23)24/h2-9,12,27H,10-11,13H2,1H3
InChIKeyOUBDTLWRNJXDLJ-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.82
Rot. Bonds5

About 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one

5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one (PubChem CID 91924250) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
PubChem CID91924250
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
SMILESCc1nc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1CCO
InChIInChI=1S/C21H19F3N2O2/c1-14-18(10-11-27)20(28)26(19(25-14)16-7-3-2-4-8-16)13-15-6-5-9-17(12-15)21(22,23)24/h2-9,12,27H,10-11,13H2,1H3
InChIKeyOUBDTLWRNJXDLJ-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one (CID 91924250) is 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one is Cc1nc(-c2ccccc2)n(Cc2cccc(C(F)(F)F)c2)c(=O)c1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is OUBDTLWRNJXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14-18(10-11-27)20(28)26(19(25-14)16-7-3-2-4-8-16)13-15-6-5-9-17(12-15)21(22,23)24/h2-9,12,27H,10-11,13H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one?
5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 388.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 91924250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).