Basic information
- Standard SMILES
COc1cccc2c1CCN(c1nc(Nc3ccc(F)cc3)nc(C)c1C)C2C.Cl- InChIKey
MDTAQVYGCCBSQV-UHFFFAOYSA-N- Molecular formula
- C23H26ClFN4O
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.1779173
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2-(4-fluorophenylarnino)-4-(5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochloride
- IUPAC
- N-(4-fluorophenyl)-4-(5-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylpyrimidin-2-amine;hydrochloride
Names & synonyms
SCHEMBL6968605MDTAQVYGCCBSQV-UHFFFAOYSA-N5,6-dimethyl-2-(4-fluorophenylarnino)-4-(5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochloride
Database identifiers
- PubChem CID
- 18315769
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
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