2-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyrimidine
Basic information
- CAS
866138-02-5- Standard SMILES
c1cnc2nc(-c3ccc4c(c3)OCO4)cn2c1- InChIKey
SQORVQUIBGFWCS-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.06947654
Names & identifiers
- Preferred name
- 2-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyrimidine
- IUPAC
- 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine
- English name
- 2-Benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyrimidine
- Molecular formula
- C13H9N3O2
- Molecular weight
- 239.23
Names & synonyms
866138-02-52-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine2-(Benzo[d][1,3]dioxol-5-yl)imidazo[1,2-a]pyrimidine2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidineMFCD041261482-benzo[1,3]dioxol-5-yl-imidazo[1,2-a]pyrimidineMLS000696469CHEMBL1375227SCHEMBL23407556DTXSID50393434HMS2725F10AKOS005102136
Show more names
Imidazo[1,2-a]pyrimidine, 2-(1,3-benzodioxol-5-yl)-
SMR000336572DB-4079118W-0321
Database identifiers
- CAS
866138-02-5- PubChem CID
- 3537784
- DTXSID
DTXSID50393434- ChEMBL
CHEMBL1375227
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 5.03 · 5.03±0.30(Predicted)
- 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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