Basic information
- Standard SMILES
COCc1nc(Cl)nc(N2CCc3ccccc3C2)c1C- InChIKey
NRHPBXWENYCPFC-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O
- Average molar mass
- 303.78 g/mol
Names & identifiers
- Preferred name
- 6-Methoxymethyl-5-methyl-2-chloro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine
- IUPAC
- 2-[2-chloro-6-(methoxymethyl)-5-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
Names & synonyms
SCHEMBL6966656NRHPBXWENYCPFC-UHFFFAOYSA-N6-methoxymethyl-5-methyl-2-chloro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl) pyrimidine6-methoxymethyl-5-methyl-2-chloro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine6-methoxymethyl-5-methyl-chloro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl) pyrimidine
Database identifiers
- PubChem CID
- 18315787
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
4 records
Compound notes
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