3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine

C7H5Br2N3 — CID 14342857

IUPAC3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine
SMILESBrCc1nc2ncccn2c1Br
InChIInChI=1S/C7H5Br2N3/c8-4-5-6(9)12-3-1-2-10-7(12)11-5/h1-3H,4H2
InChIKeyREIKXOZEZTWTII-UHFFFAOYSA-N
MW290.95 g/mol
LogP2.39
Rot. Bonds1

About 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine

3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine (PubChem CID 14342857) has the molecular formula C7H5Br2N3 and a molecular weight of 290.95 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine
PubChem CID14342857
Molecular FormulaC7H5Br2N3
Molecular Weight290.95 g/mol
Exact Mass288.89
IUPAC Name3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine
SMILESBrCc1nc2ncccn2c1Br
InChIInChI=1S/C7H5Br2N3/c8-4-5-6(9)12-3-1-2-10-7(12)11-5/h1-3H,4H2
InChIKeyREIKXOZEZTWTII-UHFFFAOYSA-N
XLogP2.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.95
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Azidomethyl)imidazo(1,2-a)pyrimidine
CID 5192400
Imidazo(1,2-a)pyrimidine
CID 577018
2-Methylimidazo[1,2-a]pyrimidine
CID 12323629
Imidazo[1,5-a]pyrimidine
CID 577096
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 3504009
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylcyclohexanamine
CID 5138350
2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
Imidazo(1,5-a)pyrazine
CID 292283
2-(Chloromethyl)imidazo[1,2-a]pyrimidine
CID 1417908
3-Bromoimidazo(1,2-a)pyrimidine
CID 2763871
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
CID 5008895
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine (CID 14342857) is 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine is BrCc1nc2ncccn2c1Br.
What is the InChIKey of 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is REIKXOZEZTWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N3/c8-4-5-6(9)12-3-1-2-10-7(12)11-5/h1-3H,4H2.
What are the key properties of 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine?
3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 290.95 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 14342857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).