8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one

C16H10N2O — CID 53317110

IUPAC8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cc(C#Cc3ccccc3)ccn12
InChIInChI=1S/C16H10N2O/c19-16-8-10-17-15-12-14(9-11-18(15)16)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChIKeyBQUMEJOETXDKQW-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.09
Rot. Bonds

About 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one

8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 53317110) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID53317110
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2cc(C#Cc3ccccc3)ccn12
InChIInChI=1S/C16H10N2O/c19-16-8-10-17-15-12-14(9-11-18(15)16)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChIKeyBQUMEJOETXDKQW-UHFFFAOYSA-N
XLogP2.09
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 377423
8-Ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 44622576
(2Z)-2-benzylideneimidazo[1,2-a]pyridin-3-one
CID 101896515
2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291529
7-Cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647940
2,7-Diphenylpyrido[1,2-a]pyrimidin-4-one
CID 56647941
8-Ethyl-3-methyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647938
7-Methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 377422
2-Phenyl-8-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 56647836
8-Cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647837
8-Tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647838
2,8-Diphenylpyrido[1,2-a]pyrimidin-4-one
CID 56647937

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one (CID 53317110) is 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2cc(C#Cc3ccccc3)ccn12.
What is the InChIKey of 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BQUMEJOETXDKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c19-16-8-10-17-15-12-14(9-11-18(15)16)7-6-13-4-2-1-3-5-13/h1-5,8-12H.
What are the key properties of 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one?
8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 246.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethynyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 53317110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).