2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

C11H11FN2O — CID 154932875

IUPAC2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C11H11FN2O/c1-3-8-5-10(15)14-6-7(2)4-9(12)11(14)13-8/h4-6H,3H2,1-2H3
InChIKeyAXUKXKXFRYAKNK-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.70
Rot. Bonds1

About 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one

2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932875) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID154932875
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(C)cc(F)c2n1
InChIInChI=1S/C11H11FN2O/c1-3-8-5-10(15)14-6-7(2)4-9(12)11(14)13-8/h4-6H,3H2,1-2H3
InChIKeyAXUKXKXFRYAKNK-UHFFFAOYSA-N
XLogP1.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 154932875) is 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2cc(C)cc(F)c2n1.
What is the InChIKey of 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AXUKXKXFRYAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-3-8-5-10(15)14-6-7(2)4-9(12)11(14)13-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-fluoro-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).