5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one

C23H18N2O — CID 630782

IUPAC5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H18N2O/c26-23-24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25-23)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25,26)
InChIKeyLCAUMAAXBTWKNL-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.69
Rot. Bonds4

About 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one

5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one (PubChem CID 630782) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one
PubChem CID630782
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H18N2O/c26-23-24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25-23)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25,26)
InChIKeyLCAUMAAXBTWKNL-UHFFFAOYSA-N
XLogP4.69
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one?
The IUPAC name of 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one (CID 630782) is 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one?
The InChIKey is LCAUMAAXBTWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23-24-21(18-12-6-2-7-13-18)20(16-17-10-4-1-5-11-17)22(25-23)19-14-8-3-9-15-19/h1-15H,16H2,(H,24,25,26).
What are the key properties of 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one?
5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6-diphenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 630782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).