imidazo[1,2-a]pyrimidin-3-ylboronic acid

C6H6BN3O2 — CID 57416413

IUPACimidazo[1,2-a]pyrimidin-3-ylboronic acid
SMILESOB(O)c1cnc2ncccn12
InChIInChI=1S/C6H6BN3O2/c11-7(12)5-4-9-6-8-2-1-3-10(5)6/h1-4,11-12H
InChIKeyYCAGNIQDPLSAPZ-UHFFFAOYSA-N
MW162.94 g/mol
LogP-1.59
Rot. Bonds1

About imidazo[1,2-a]pyrimidin-3-ylboronic acid

imidazo[1,2-a]pyrimidin-3-ylboronic acid (PubChem CID 57416413) has the molecular formula C6H6BN3O2 and a molecular weight of 162.94 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-ylboronic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-ylboronic acid
PubChem CID57416413
Molecular FormulaC6H6BN3O2
Molecular Weight162.94 g/mol
Exact Mass163.06
IUPAC Nameimidazo[1,2-a]pyrimidin-3-ylboronic acid
SMILESOB(O)c1cnc2ncccn12
InChIInChI=1S/C6H6BN3O2/c11-7(12)5-4-9-6-8-2-1-3-10(5)6/h1-4,11-12H
InChIKeyYCAGNIQDPLSAPZ-UHFFFAOYSA-N
XLogP-1.59
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.94
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-ylboronic acid?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-ylboronic acid (CID 57416413) is imidazo[1,2-a]pyrimidin-3-ylboronic acid.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-ylboronic acid?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-ylboronic acid is OB(O)c1cnc2ncccn12.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-ylboronic acid?
The InChIKey is YCAGNIQDPLSAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BN3O2/c11-7(12)5-4-9-6-8-2-1-3-10(5)6/h1-4,11-12H.
What are the key properties of imidazo[1,2-a]pyrimidin-3-ylboronic acid?
imidazo[1,2-a]pyrimidin-3-ylboronic acid has a molecular weight of 162.94 g/mol, XLogP of -1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-ylboronic acid is sourced from PubChem (CID 57416413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).