5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione

C25H22N2O3 — CID 123749532

IUPAC5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1c(Cc2ccccc2)c(O)n(CCc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H22N2O3/c28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19/h1-15,28H,16-18H2
InChIKeyOWHOBOUBUNAHPP-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.54
Rot. Bonds6

About 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione

5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 123749532) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID123749532
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1c(Cc2ccccc2)c(O)n(CCc2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C25H22N2O3/c28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19/h1-15,28H,16-18H2
InChIKeyOWHOBOUBUNAHPP-UHFFFAOYSA-N
XLogP3.54
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione 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 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 123749532) is 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione is O=c1c(Cc2ccccc2)c(O)n(CCc2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is OWHOBOUBUNAHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19/h1-15,28H,16-18H2.
What are the key properties of 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 398.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-hydroxy-3-phenyl-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123749532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).