imidazo[1,2-a]pyrimidine-2-carbaldehyde

C7H5N3O — CID 15152331

IUPACimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cn2cccnc2n1
InChIInChI=1S/C7H5N3O/c11-5-6-4-10-3-1-2-8-7(10)9-6/h1-5H
InChIKeyBJPFFMZIQGNKKA-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.54
Rot. Bonds1

About imidazo[1,2-a]pyrimidine-2-carbaldehyde

imidazo[1,2-a]pyrimidine-2-carbaldehyde (PubChem CID 15152331) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidine-2-carbaldehyde
PubChem CID15152331
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Nameimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cn2cccnc2n1
InChIInChI=1S/C7H5N3O/c11-5-6-4-10-3-1-2-8-7(10)9-6/h1-5H
InChIKeyBJPFFMZIQGNKKA-UHFFFAOYSA-N
XLogP0.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidine-2-carbaldehyde?
The IUPAC name of imidazo[1,2-a]pyrimidine-2-carbaldehyde (CID 15152331) is imidazo[1,2-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for imidazo[1,2-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for imidazo[1,2-a]pyrimidine-2-carbaldehyde is O=Cc1cn2cccnc2n1.
What is the InChIKey of imidazo[1,2-a]pyrimidine-2-carbaldehyde?
The InChIKey is BJPFFMZIQGNKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-5-6-4-10-3-1-2-8-7(10)9-6/h1-5H.
What are the key properties of imidazo[1,2-a]pyrimidine-2-carbaldehyde?
imidazo[1,2-a]pyrimidine-2-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 15152331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).