2-(4-Methoxyphenyl)imidazo[1,2-a]pyrimidine
Basic information
- CAS
31555-36-9- Standard SMILES
COc1ccc(-c2cn3cccnc3n2)cc1- InChIKey
MZWNMPVRUFGZKY-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)imidazo[1,2-a]pyrimidine
- IUPAC
- 2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
- English name
- 2-(4-Methoxy-phenyl)-imidazo[1,2-a]pyrimidine monohydrobromine
- Molecular formula
- C13H12BrN3O
- Molecular weight
- 306.16
Names & synonyms
2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine31555-35-84-Imidazo[1,2-a]pyrimidin-2-ylphenyl methyl etherMFCD00478265NSC720777MLS000684022CHEMBL1495645SCHEMBL10753716DTXSID60953528MZWNMPVRUFGZKY-UHFFFAOYSA-NHMS2721C13STK863344
Show more names
2-(4-Methoxyphenyl)imidazo[1,2-a]pyrimidin2-(4-Methoxyphenyl)imidazo[1,2-a]pyrimidine hydrobromide2-(4-Methoxy-phenyl)-imidazo[1,2-a]pyrimidine monohydrobromine
AKOS000479442NSC-720777SMR000291669DB-098162EU-0044844ST451968104P-080Imidazo[1,2-a]pyrimidine, 2-(4-methoxyphenyl)-
Database identifiers
- CAS
31555-36-9- PubChem CID
- 404537
- DTXSID
DTXSID60953528- ChEMBL
CHEMBL1495645- Nikkaji
- J374.514G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Solubility>33.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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