6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one

HCID 10736701CAS 185039-46-7

Basic information

Standard SMILES
CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIKey
LCKCHOMHDSHDJF-UHFFFAOYSA-N
Molecular formula
C15H11Cl2N3OS
Average molar mass
352.2 g/mol
Monoisotopic mass
350.99998833

Names & identifiers

Preferred name
6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
IUPAC
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
English name
6-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
Molecular formula
C15H11Cl2N3OS
Molecular weight
352.24

Names & synonyms

185039-46-76-(2,6-Dichlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-oneLCKCHOMHDSHDJF-UHFFFAOYSA-NSCHEMBL5761991SCHEMBL30618265DTXSID10444193DA-36903F951566-(2,6-Dichlorophenyl)-8-methyl-2-(methylsulfanyl)pyrido[2,3-d]pyrimidin-7(8H)-one6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido-[2,3-d]pyrimidin-7-one6-(2,6-Dichlorophenyl)-8-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Show more names
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-8-methyl-2-(methylthio)-6-(2,6-dichlorophenyl)-8-methyl-2-(methylsulfanyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one

Database identifiers

CAS
185039-46-7
PubChem CID
10736701
DTXSID
DTXSID10444193
Nikkaji
J2.304.588E

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
71.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Physicochemical properties

Melting point
208 °C · >208°C (dec.)
Boiling point
512.5 · 512.5±50.0 °C(Predicted)
Density
1.52 · 1.52±0.1 g/cm3(Predicted)
solubility
Chloroform, Dichloromethane, DMSO, Methanol
pka
1.5 · 1.50±0.20(Predicted)
form
Solid

Chemistry & industry

Applications

UsesAn intermediate in the preparation of antitumor agents and tyrosine kinase inhibitors

Suppliers13 total

无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]

Related reactions

41 records

Linked notes

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