Basic information
- CAS
871266-79-4- Standard SMILES
Cc1cccc(C)c1Nc1nc2c(Cl)ncnc2s1- InChIKey
DRBASNCUFMSJAA-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4S
- Average molar mass
- 290.77 g/mol
- Monoisotopic mass
- 290.0392952
Names & identifiers
- Preferred name
- (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(2,6-dimethylphenyl)amine
- IUPAC
- 7-chloro-N-(2,6-dimethylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
- English name
- (7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(2,6-dimethylphenyl)amine
- Molecular formula
- C13H11ClN4S
- Molecular weight
- 290.77
Names & synonyms
871266-79-4(7-Chlorothiazolo[5,4-d]pyrimidin-2-yl)-(2,6-dimethylphenyl)amine7-Chloro-N-(2,6-dimethylphenyl)thiazolo[5,4-d]pyrimidin-2-amine7-CHLORO-N-(2,6-DIMETHYLPHENYL)-[1,3]THIAZOLO[5,4-D]PYRIMIDIN-2-AMINESCHEMBL3928268DTXSID80469292DRBASNCUFMSJAA-UHFFFAOYSA-N(7-chloro-thiazolo[5,4-d]pyrimidin-2-yl)-(2,6-dimethyl-phenyl)-amine7-Chloro-N-(2,6-dimethylphenyl)[1,3]thiazolo[5,4-d]pyrimidin-2-amineThiazolo[5,4-d]pyrimidin-2-amine, 7-chloro-N-(2,6-dimethylphenyl)-
Database identifiers
- CAS
871266-79-4- PubChem CID
- 11601731
- DTXSID
DTXSID80469292
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 430.8 · 430.8±55.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…