2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride

C8H10Cl2N4O — CID 90664636

IUPAC2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)c1cnc2ncccn12
InChIInChI=1S/C8H8N4O.2ClH/c9-4-7(13)6-5-11-8-10-2-1-3-12(6)8;;/h1-3,5H,4,9H2;2*1H
InChIKeyJZOXINPSWNDJCU-UHFFFAOYSA-N
MW249.10 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride

2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride (PubChem CID 90664636) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride
PubChem CID90664636
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)c1cnc2ncccn12
InChIInChI=1S/C8H8N4O.2ClH/c9-4-7(13)6-5-11-8-10-2-1-3-12(6)8;;/h1-3,5H,4,9H2;2*1H
InChIKeyJZOXINPSWNDJCU-UHFFFAOYSA-N
XLogP0.71
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride 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-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride?
The IUPAC name of 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride (CID 90664636) is 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride is Cl.Cl.NCC(=O)c1cnc2ncccn12.
What is the InChIKey of 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride?
The InChIKey is JZOXINPSWNDJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.2ClH/c9-4-7(13)6-5-11-8-10-2-1-3-12(6)8;;/h1-3,5H,4,9H2;2*1H.
What are the key properties of 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride?
2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride has a molecular weight of 249.10 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride is sourced from PubChem (CID 90664636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).