6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C21H19F3N2O2 — CID 11581851

IUPAC6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)c(CCc2ccccc2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C21H19F3N2O2/c1-14-25-19(16-9-5-6-10-18(16)27)17(12-11-15-7-3-2-4-8-15)20(28)26(14)13-21(22,23)24/h2-10,27H,11-13H2,1H3
InChIKeySKWYRNDJLPTOFE-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.27
Rot. Bonds5

About 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 11581851) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID11581851
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)c(CCc2ccccc2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C21H19F3N2O2/c1-14-25-19(16-9-5-6-10-18(16)27)17(12-11-15-7-3-2-4-8-15)20(28)26(14)13-21(22,23)24/h2-10,27H,11-13H2,1H3
InChIKeySKWYRNDJLPTOFE-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 11581851) is 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is Cc1nc(-c2ccccc2O)c(CCc2ccccc2)c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is SKWYRNDJLPTOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-14-25-19(16-9-5-6-10-18(16)27)17(12-11-15-7-3-2-4-8-15)20(28)26(14)13-21(22,23)24/h2-10,27H,11-13H2,1H3.
What are the key properties of 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 388.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 11581851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).