Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccc(-c4cccnc4)nc3Nc3ccc(OC)nc3)n2)cc1- InChIKey
VYWNLTYLPURUQV-UHFFFAOYSA-N- Molecular formula
- C36H34N8O3
- Average molar mass
- 626.7 g/mol
Names & identifiers
- Preferred name
- 5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-2,3'-bipyridin-6-amine
- IUPAC
- N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-6-pyridin-3-yl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
Names & synonyms
SCHEMBL166406VYWNLTYLPURUQV-UHFFFAOYSA-N5-(4-(BIS(4-METHOXYBENZYL)AMINO)-6-METHYL-1,3,5-TRIAZIN-2-YL)-N-(6-METHOXYPYRIDIN-3-YL)-2,3'-BIPYRIDIN-6-AMINE
Database identifiers
- PubChem CID
- 66611348
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 877
Related reactions
6 records
Compound notes
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