6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
Basic information
- CAS
185039-48-9- Standard SMILES
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(S(C)(=O)=O)nc21- InChIKey
BADVXFUKYQHVBO-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2N3O3S
- Average molar mass
- 384.2 g/mol
- Monoisotopic mass
- 382.98981757
Names & identifiers
- Preferred name
- 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
- English name
- 6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
- Molecular formula
- C15H11Cl2N3O3S
- Molecular weight
- 384.24
Names & synonyms
185039-48-96-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one6-(2,6-Dichlorophenyl)-8-methyl-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-oneBADVXFUKYQHVBO-UHFFFAOYSA-NC15H11Cl2N3O3SSCHEMBL3762584SCHEMBL29498171DTXSID20442286AKOS030228091DA-36905CS-0360873
Show more names
140628Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylsulfonyl)-
A112906-(2,6-Dichlorophenyl)-2-(methanesulfonyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-Dichlorophenyl)-2-methanesulfonyl-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonyl-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- CAS
185039-48-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 639
Physicochemical properties
- Melting point
- 290 ℃ · >290℃
- Boiling point
- 588.4 · 588.4±60.0 °C(Predicted)
- Density
- 1.528 · 1.528
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Dichloromethane, DMSO, Methanol
- pka
- -2.78 · -2.78±0.20(Predicted)
- form
- Solid
- color
- Light-Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors
Related reactions
35 records
Compound notes
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