2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane

C14H20N2O — CID 144970403

IUPAC2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane
SMILESCCC.CCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C11H12N2O.C3H8/c1-3-9-6-11(14)13-7-8(2)4-5-10(13)12-9;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyHWCRWPIZTLTEQE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.98
Rot. Bonds1

About 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane

2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane (PubChem CID 144970403) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane.

Molecular Properties

Compound Name2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane
PubChem CID144970403
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane
SMILESCCC.CCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C11H12N2O.C3H8/c1-3-9-6-11(14)13-7-8(2)4-5-10(13)12-9;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyHWCRWPIZTLTEQE-UHFFFAOYSA-N
XLogP2.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane?
The IUPAC name of 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane (CID 144970403) is 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane.
What is the SMILES notation for 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane?
The canonical SMILES for 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane is CCC.CCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane?
The InChIKey is HWCRWPIZTLTEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C3H8/c1-3-9-6-11(14)13-7-8(2)4-5-10(13)12-9;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane?
2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane has a molecular weight of 232.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methylpyrido[1,2-a]pyrimidin-4-one;propane is sourced from PubChem (CID 144970403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).