3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one

C11H12N4O — CID 170986588

IUPAC3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cnc2ncccn12
InChIInChI=1S/C11H12N4O/c1-14(2)7-4-10(16)9-8-13-11-12-5-3-6-15(9)11/h3-8H,1-2H3
InChIKeyOSKUUXTYQPYUBA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.99
Rot. Bonds3

About 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one

3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one (PubChem CID 170986588) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one
PubChem CID170986588
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one
SMILESCN(C)C=CC(=O)c1cnc2ncccn12
InChIInChI=1S/C11H12N4O/c1-14(2)7-4-10(16)9-8-13-11-12-5-3-6-15(9)11/h3-8H,1-2H3
InChIKeyOSKUUXTYQPYUBA-UHFFFAOYSA-N
XLogP0.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one (CID 170986588) is 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one is CN(C)C=CC(=O)c1cnc2ncccn12.
What is the InChIKey of 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one?
The InChIKey is OSKUUXTYQPYUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-14(2)7-4-10(16)9-8-13-11-12-5-3-6-15(9)11/h3-8H,1-2H3.
What are the key properties of 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one?
3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one has a molecular weight of 216.24 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one is sourced from PubChem (CID 170986588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).