3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C11H13ClN2O — CID 3053744

IUPAC3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccccn2c1=O.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h4-7H,3H2,1-2H3;1H
InChIKeyMDGKNAQDGRINEK-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.99
Rot. Bonds1

About 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 3053744) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID3053744
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCCc1c(C)nc2ccccn2c1=O.Cl
InChIInChI=1S/C11H12N2O.ClH/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h4-7H,3H2,1-2H3;1H
InChIKeyMDGKNAQDGRINEK-UHFFFAOYSA-N
XLogP1.99
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 3053744) is 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is CCc1c(C)nc2ccccn2c1=O.Cl.
What is the InChIKey of 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is MDGKNAQDGRINEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h4-7H,3H2,1-2H3;1H.
What are the key properties of 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 3053744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).