4-[amino-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-N,N-dimethylbenzenesulfonamide
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Basic information
- Standard SMILES
COc1ccc(Nc2ncc(C(N)c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1- InChIKey
AFNXFVRFKXIJTK-UHFFFAOYSA-N- Molecular formula
- C24H27N9O3S
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- 4-[amino-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-[amino-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]-N,N-dimethylbenzenesulfonamide
Names & synonyms
SCHEMBL168620CHEMBL3646544BDBM125396US8772480, 237
Database identifiers
- PubChem CID
- 59548293
- ChEMBL
CHEMBL3646544
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 821
Related reactions
1 records
Compound notes
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