Basic information
- Standard SMILES
COc1ccc(CNc2nc(C)nc(C)c2Cl)cc1OCc1ccccc1- InChIKey
GAAMKTZKQZHGBH-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O2
- Average molar mass
- 383.9 g/mol
Names & identifiers
- Preferred name
- (3-Benzyloxy-4-methoxybenzyl)(5-chloro-2,6-dimethylpyrimidin-4-yl)amine
- IUPAC
- 5-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
Names & synonyms
SCHEMBL6739846GAAMKTZKQZHGBH-UHFFFAOYSA-N(3-benzyloxy-4-methoxy-benzyl)(5-chloro-2,6-dimethylpyrimidin-4-yl)amine(3-Benzyloxy-4-methoxybenzyl)(5-chloro-2,6-dimethylpyrimidin-4-yl)amine
Database identifiers
- PubChem CID
- 22639999
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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