2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C17H16N2O — CID 56647836

IUPAC2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H16N2O/c1-12(2)14-8-9-19-16(10-14)18-15(11-17(19)20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLFPJEOULOHUSLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.48
Rot. Bonds2

About 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56647836) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56647836
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H16N2O/c1-12(2)14-8-9-19-16(10-14)18-15(11-17(19)20)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyLFPJEOULOHUSLY-UHFFFAOYSA-N
XLogP3.48
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 56647836) is 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LFPJEOULOHUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12(2)14-8-9-19-16(10-14)18-15(11-17(19)20)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56647836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).