6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde

C7H4BrN3O — CID 71748358

IUPAC6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(Br)cn12
InChIInChI=1S/C7H4BrN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H
InChIKeyPAOLBUPEQYBJIQ-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.30
Rot. Bonds1

About 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde

6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 71748358) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID71748358
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnc2ncc(Br)cn12
InChIInChI=1S/C7H4BrN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H
InChIKeyPAOLBUPEQYBJIQ-UHFFFAOYSA-N
XLogP1.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Imidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 15152331
6-Bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 45588489
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
CID 404535
Methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
CID 51072303
1-(Pyrimidin-2-yl)-1H-imidazole-4-carbaldehyde
CID 22630884
6-(Trifluoromethyl)imidazo[1,2-A]pyrimidine-3-carbaldehyde
CID 72211206
6-Fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 167346079
6-Fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 170973363
Imidazo(1,2-a)pyrimidine-2-carboxamide
CID 22665410
(6-Bromoimidazo[1,2-a]pyrimidin-2-yl)(3-fluoroazetidin-1-yl)methanone
CID 52180967
6-bromo-N-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 52181018
6-bromo-N-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 52181041

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 71748358) is 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1cnc2ncc(Br)cn12.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is PAOLBUPEQYBJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-5-1-9-7-10-2-6(4-12)11(7)3-5/h1-4H.
What are the key properties of 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde?
6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 71748358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).