Basic information
- Standard SMILES
COCc1nc(Cl)nc(N2CCc3cc(OC)ccc3C2C)c1C- InChIKey
DBMYLQAWMBMWMG-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O2
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.1400546
Names & identifiers
- Preferred name
- 6-Methoxymethyl-5-methyl-2-chloro-4-(1-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine
- IUPAC
- 2-[2-chloro-6-(methoxymethyl)-5-methylpyrimidin-4-yl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
SCHEMBL6969253DBMYLQAWMBMWMG-UHFFFAOYSA-N6-methoxymethyl-5-methyl-2-chloro-4-(1-methyl-6-methoxy-1,2,3,4-tetra-hydroisoquinolin-2-yl)pyrimidine6-methoxymethyl-5-methyl-2-chloro-4-(1-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine
Database identifiers
- PubChem CID
- 18315657
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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