Basic information
- CAS
422563-18-6- Standard SMILES
Cc1nc(N(C)Cc2ccccc2)c2c(C)c(C)sc2n1- InChIKey
NOMBFJVJHLRNSQ-UHFFFAOYSA-N- Molecular formula
- C17H19N3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.12996879
Names & identifiers
- Preferred name
- N-benzyl-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
- IUPAC
- N-benzyl-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
Names & synonyms
N-benzyl-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amineOprea1_227122MLS001172374CHEMBL1464138DTXSID801324952HMS2896K17AKOS001049532422563-18-6SMR000592248SR-01000574919SR-01000574919-1Z31196586
Database identifiers
- CAS
422563-18-6- PubChem CID
- 757232
- DTXSID
DTXSID801324952- ChEMBL
CHEMBL1464138
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Solubility4.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…