2,7-diphenylpyrido[1,2-a]pyrimidin-4-one

C20H14N2O — CID 56647941

IUPAC2,7-diphenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N2O/c23-20-13-18(16-9-5-2-6-10-16)21-19-12-11-17(14-22(19)20)15-7-3-1-4-8-15/h1-14H
InChIKeyRLRNAEDFYYCAKA-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.03
Rot. Bonds2

About 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one

2,7-diphenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56647941) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-diphenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56647941
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2,7-diphenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N2O/c23-20-13-18(16-9-5-2-6-10-16)21-19-12-11-17(14-22(19)20)15-7-3-1-4-8-15/h1-14H
InChIKeyRLRNAEDFYYCAKA-UHFFFAOYSA-N
XLogP4.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one (CID 56647941) is 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccccc2)nc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RLRNAEDFYYCAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20-13-18(16-9-5-2-6-10-16)21-19-12-11-17(14-22(19)20)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one?
2,7-diphenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 298.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56647941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).