3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one

C11H12N2O — CID 604744

IUPAC3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C11H12N2O/c1-3-9-7-12-10-6-4-5-8(2)13(10)11(9)14/h4-7H,3H2,1-2H3
InChIKeyJWAOHFWSXYKAAQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.57
Rot. Bonds1

About 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one

3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 604744) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID604744
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cnc2cccc(C)n2c1=O
InChIInChI=1S/C11H12N2O/c1-3-9-7-12-10-6-4-5-8(2)13(10)11(9)14/h4-7H,3H2,1-2H3
InChIKeyJWAOHFWSXYKAAQ-UHFFFAOYSA-N
XLogP1.57
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 604744) is 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one is CCc1cnc2cccc(C)n2c1=O.
What is the InChIKey of 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JWAOHFWSXYKAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-9-7-12-10-6-4-5-8(2)13(10)11(9)14/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 604744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).