(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate

C23H16N2O3 — CID 1034666

IUPAC(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-16-20(28-23(27)18-12-6-2-7-13-18)24-22(17-10-4-1-5-11-17)25(21)19-14-8-3-9-15-19/h1-16H
InChIKeyZHIBQARSSJTNKM-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.12
Rot. Bonds4

About (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate

(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate (PubChem CID 1034666) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate.

Molecular Properties

Compound Name(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate
PubChem CID1034666
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-16-20(28-23(27)18-12-6-2-7-13-18)24-22(17-10-4-1-5-11-17)25(21)19-14-8-3-9-15-19/h1-16H
InChIKeyZHIBQARSSJTNKM-UHFFFAOYSA-N
XLogP4.12
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate?
The IUPAC name of (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate (CID 1034666) is (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate.
What is the SMILES notation for (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate?
The canonical SMILES for (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate is O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate?
The InChIKey is ZHIBQARSSJTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21-16-20(28-23(27)18-12-6-2-7-13-18)24-22(17-10-4-1-5-11-17)25(21)19-14-8-3-9-15-19/h1-16H.
What are the key properties of (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate?
(6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate has a molecular weight of 368.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1,2-diphenylpyrimidin-4-yl) benzoate is sourced from PubChem (CID 1034666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).