4-phenylpyrido[1,2-a]pyrimidin-2-one

C14H10N2O — CID 3813423

IUPAC4-phenylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(-c2ccccc2)n2ccccc2n1
InChIInChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)16-9-5-4-8-13(16)15-14/h1-10H
InChIKeyAHPOSBFUSLSSMD-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.36
Rot. Bonds1

About 4-phenylpyrido[1,2-a]pyrimidin-2-one

4-phenylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 3813423) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-phenylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-phenylpyrido[1,2-a]pyrimidin-2-one
PubChem CID3813423
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-phenylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(-c2ccccc2)n2ccccc2n1
InChIInChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)16-9-5-4-8-13(16)15-14/h1-10H
InChIKeyAHPOSBFUSLSSMD-UHFFFAOYSA-N
XLogP2.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-phenylpyrido[1,2-a]pyrimidin-2-one (CID 3813423) is 4-phenylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-phenylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-phenylpyrido[1,2-a]pyrimidin-2-one is O=c1cc(-c2ccccc2)n2ccccc2n1.
What is the InChIKey of 4-phenylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is AHPOSBFUSLSSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)16-9-5-4-8-13(16)15-14/h1-10H.
What are the key properties of 4-phenylpyrido[1,2-a]pyrimidin-2-one?
4-phenylpyrido[1,2-a]pyrimidin-2-one has a molecular weight of 222.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 3813423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).