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

C10H10N2O — CID 20348008

IUPAC7-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=CN2C(=NC=CC2=O)C=C1
InChIInChI=1S/C10H10N2O/c1-2-8-3-4-9-11-6-5-10(13)12(9)7-8/h3-7H,2H2,1H3
InChIKeyQPNYRVVTEGXFDL-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.50
Rot. Bonds1

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

7-Ethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 20348008) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 7-ethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-Ethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID20348008
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name7-ethylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1=CN2C(=NC=CC2=O)C=C1
InChIInChI=1S/C10H10N2O/c1-2-8-3-4-9-11-6-5-10(13)12(9)7-8/h3-7H,2H2,1H3
InChIKeyQPNYRVVTEGXFDL-UHFFFAOYSA-N
XLogP0.50
TPSA32.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-Ethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-Ethylpyrido[1,2-a]pyrimidin-4-one (CID 20348008) is 7-ethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-Ethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-Ethylpyrido[1,2-a]pyrimidin-4-one is CCC1=CN2C(=NC=CC2=O)C=C1.
What is the InChIKey of 7-Ethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QPNYRVVTEGXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-8-3-4-9-11-6-5-10(13)12(9)7-8/h3-7H,2H2,1H3.
What are the key properties of 7-Ethylpyrido[1,2-a]pyrimidin-4-one?
7-Ethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 174.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-Ethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20348008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).