Basic information
- Standard SMILES
Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)CN4CCOCC4)ccc3C2C)c1C.Cl.Cl- InChIKey
VUSDDYDYJFFGNT-UHFFFAOYSA-N- Molecular formula
- C28H34Cl2FN5O3
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 577.2022735
Names & identifiers
- Preferred name
- 5,6Dimethyl-2-(4-fluorophenylamino)-4-{1-methyl-6-(4-morpholineacetoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl}pyrimidine dihydrochloride
- IUPAC
- [2-[2-(4-fluoroanilino)-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl] 2-morpholin-4-ylacetate;dihydrochloride
Names & synonyms
SCHEMBL6968128VUSDDYDYJFFGNT-UHFFFAOYSA-N5,6dimethyl-2-(4-fluorophenylamino)-4-{1-methyl-6-(4-morpholineacetoxy)-1,2,3,4-tetrahydroisoquinolin-2-yl}pyrimidine dihydrochloride
Database identifiers
- PubChem CID
- 69948447
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 747
Related reactions
1 records
Compound notes
Loading…