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

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

C₁₄H₁₈N₂O — CID 12527414

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one

SMILESCCCc1nc2cccc(C)n2c(=O)c1CC

InChIInChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3

InChIKeyFWVLXBFVCTXOOF-UHFFFAOYSA-N

MW230.31 g/mol

LogP2.52

Rot. Bonds3

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

3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 12527414) has the molecular formula C₁₄H₁₈N₂O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name	3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID	12527414
Molecular Formula	C₁₄H₁₈N₂O
Molecular Weight	230.31 g/mol
Exact Mass	230.14
IUPAC Name	3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one
SMILES	CCCc1nc2cccc(C)n2c(=O)c1CC
InChI	InChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3
InChIKey	FWVLXBFVCTXOOF-UHFFFAOYSA-N
XLogP	2.52
TPSA	34.37 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one (CID 12527414) is 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one.

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

The canonical SMILES for 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1nc2cccc(C)n2c(=O)c1CC.

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

The InChIKey is FWVLXBFVCTXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-7-12-11(5-2)14(17)16-10(3)8-6-9-13(16)15-12/h6,8-9H,4-5,7H2,1-3H3.

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

3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-6-methyl-2-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12527414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 12527414 — identifiers, structure, computed properties (public domain)

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