3-(3-Fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
Basic information
- CAS
477890-40-7- Standard SMILES
Cc1nc2c(C#N)ncn2c(C)c1Cc1cccc(F)c1- InChIKey
YKZYJSVAQUQDHC-UHFFFAOYSA-N- Molecular formula
- C16H13FN4
- Average molar mass
- 280.3 g/mol
Names & identifiers
- Preferred name
- 3-(3-Fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
- IUPAC
- 3-[(3-fluorophenyl)methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
- English name
- 3-(3-Fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile
- Molecular formula
- C16H13FN4
- Molecular weight
- 280.3
Names & synonyms
477890-40-73-(3-fluorobenzyl)-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrile3-[(3-fluorophenyl)methyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carbonitrileMFCD02571880Bionet2_001333Oprea1_507870C16H13FN4HMS1367M13AKOS0159924502R-08603-[(3-fluorophenyl)methyl]-2,4-dimethyl-imidazo[1,5-a]pyrimidine-8-carbonitrileImidazo[1,5-a]pyrimidine-8-carbonitrile, 3-[(3-fluorophenyl)methyl]-2,4-dimethyl-
Database identifiers
- CAS
477890-40-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.28 · 0.28±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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