2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one

C12H15N3O — CID 166942027

IUPAC2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
SMILESCCC(CC)C(=O)c1cnc2ncccn12
InChIInChI=1S/C12H15N3O/c1-3-9(4-2)11(16)10-8-14-12-13-6-5-7-15(10)12/h5-9H,3-4H2,1-2H3
InChIKeyGJKRBOWJEIQOCJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.35
Rot. Bonds4

About 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one

2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one (PubChem CID 166942027) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
PubChem CID166942027
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
SMILESCCC(CC)C(=O)c1cnc2ncccn12
InChIInChI=1S/C12H15N3O/c1-3-9(4-2)11(16)10-8-14-12-13-6-5-7-15(10)12/h5-9H,3-4H2,1-2H3
InChIKeyGJKRBOWJEIQOCJ-UHFFFAOYSA-N
XLogP2.35
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one 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-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one (CID 166942027) is 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one is CCC(CC)C(=O)c1cnc2ncccn12.
What is the InChIKey of 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one?
The InChIKey is GJKRBOWJEIQOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-9(4-2)11(16)10-8-14-12-13-6-5-7-15(10)12/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one?
2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one is sourced from PubChem (CID 166942027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).