3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one

Name: 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₆N₂O — CID 3053751

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one

SMILESCCc1c(C)nc2cc(C)cc(C)n2c1=O

InChIInChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3

InChIKeyDFNXHNBRQIABNY-UHFFFAOYSA-N

MW216.28 g/mol

LogP2.18

Rot. Bonds1

About 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one

3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3053751) has the molecular formula C₁₃H₁₆N₂O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name	3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID	3053751
Molecular Formula	C₁₃H₁₆N₂O
Molecular Weight	216.28 g/mol
Exact Mass	216.13
IUPAC Name	3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
SMILES	CCc1c(C)nc2cc(C)cc(C)n2c1=O
InChI	InChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3
InChIKey	DFNXHNBRQIABNY-UHFFFAOYSA-N
XLogP	2.18
TPSA	34.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.28
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one (CID 3053751) is 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one is CCc1c(C)nc2cc(C)cc(C)n2c1=O.

What is the InChIKey of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is DFNXHNBRQIABNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-5-11-10(4)14-12-7-8(2)6-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3.

What are the key properties of 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one?

3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 3053751 — identifiers, structure, computed properties (public domain)

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