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

C₁₁H₁₂N₂O — CID 155816742

About 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one

8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 155816742) has the molecular formula C₁₁H₁₂N₂O and a molecular weight of 188.23 g/mol. Its IUPAC name is 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 155816742
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.23 g/mol
• Exact Mass: 188.09
• IUPAC Name: 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1ccn2c(=O)c(C)cnc2c1
• InChI: InChI=1S/C11H12N2O/c1-3-9-4-5-13-10(6-9)12-7-8(2)11(13)14/h4-7H,3H2,1-2H3
• InChIKey: XWAFYTNEKUTQFF-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 34.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.23
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 155816742) is 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one is CCc1ccn2c(=O)c(C)cnc2c1.

What is the InChIKey of 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is XWAFYTNEKUTQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-9-4-5-13-10(6-9)12-7-8(2)11(13)14/h4-7H,3H2,1-2H3.

What are the key properties of 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one?

8-ethyl-3-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 8-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155816742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155816742 — identifiers, structure, computed properties (public domain)

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