Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)nc(C)n2)cc1- InChIKey
INAZVFAEGNVQJO-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O2
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.1400546
Names & identifiers
- Preferred name
- 6-chloro-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amine
- IUPAC
- 6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
Names & synonyms
SCHEMBL114531INAZVFAEGNVQJO-UHFFFAOYSA-N6-chloro-N,N-bis(4-methoxybenzyl)-2-methylpyrimidin-4-amine
Database identifiers
- PubChem CID
- 59548404
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 400
Related reactions
12 records
Compound notes
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