5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
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Basic information
- CAS
379236-06-3- Standard SMILES
Cc1sc2nc[nH]c(=O)c2c1-c1ccc(F)cc1- InChIKey
LZPGXBQPTBABDT-UHFFFAOYSA-N- Molecular formula
- C13H9FN2OS
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.04196225
Names & identifiers
- Preferred name
- 5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
- English name
- 5-(4-FLUORO-PHENYL)-6-METHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
- Molecular formula
- C13H9FN2OS
- Molecular weight
- 260.29
Names & synonyms
379236-06-35-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-oneThieno[2,3-d]pyrimidin-4(1H)-one, 5-(4-fluorophenyl)-6-methyl-MLS001203991IFLab1_005826SCHEMBL2368737CHEMBL1466579DTXSID801326910HMS1428I18HMS2824A155-(4-Fluoro-phenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
Show more names
AURORA 21704OTAVA-BB BB7213330556
AKOS000535562SDCCGSBI-0659496.P001IDI1_011229SMR000518995ST070624F520734SR-01000323349SR-01000323349-1
Database identifiers
- CAS
379236-06-3- PubChem CID
- 711228
- DTXSID
DTXSID801326910- ChEMBL
CHEMBL1466579
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility4.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 410.7 · 410.7±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.20(Predicted)
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- 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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