5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one

C23H16N2O3 — CID 135401328

IUPAC5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one
SMILESO=C(c1ccccc1)c1c(O)nc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H16N2O3/c26-20(16-10-4-1-5-11-16)19-22(27)24-21(17-12-6-2-7-13-17)25(23(19)28)18-14-8-3-9-15-18/h1-15,27H
InChIKeyMKAIEPXFPFHYKF-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.84
Rot. Bonds4

About 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one

5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one (PubChem CID 135401328) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one.

Molecular Properties

Compound Name5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one
PubChem CID135401328
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one
SMILESO=C(c1ccccc1)c1c(O)nc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H16N2O3/c26-20(16-10-4-1-5-11-16)19-22(27)24-21(17-12-6-2-7-13-17)25(23(19)28)18-14-8-3-9-15-18/h1-15,27H
InChIKeyMKAIEPXFPFHYKF-UHFFFAOYSA-N
XLogP3.84
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one?
The IUPAC name of 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one (CID 135401328) is 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one.
What is the SMILES notation for 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one?
The canonical SMILES for 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one is O=C(c1ccccc1)c1c(O)nc(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one?
The InChIKey is MKAIEPXFPFHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-20(16-10-4-1-5-11-16)19-22(27)24-21(17-12-6-2-7-13-17)25(23(19)28)18-14-8-3-9-15-18/h1-15,27H.
What are the key properties of 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one?
5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one has a molecular weight of 368.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-hydroxy-2,3-diphenylpyrimidin-4-one is sourced from PubChem (CID 135401328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).