Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc([C@@H](C)N4CCNC[C@@H]4C)cnc3F)nc(C)n2)cc1- InChIKey
FVXSNBATBGWUTH-XZOQPEGZSA-N- Molecular formula
- C33H39FN6O2
- Average molar mass
- 570.7 g/mol
Names & identifiers
- Preferred name
- 6-(2-fluoro-5-((1R)-1-((2S)-2-methyl-1-piperazinyl)ethyl)-3-pyridinyl)-N,N-bis(4-methoxybenzyl)-2-methyl-4-pyrimidinamine
- IUPAC
- 6-[2-fluoro-5-[(1R)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
Names & synonyms
SCHEMBL3111200FVXSNBATBGWUTH-XZOQPEGZSA-N6-(2-fluoro-5-((1R)-1-((2S)-2-methyl-1-piperazinyl)ethyl)-3-pyridinyl)-N,N-bis(4-methoxybenzyl)-2-methyl-4-pyrimidinamine
Database identifiers
- PubChem CID
- 68515865
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 769
Related reactions
4 records
Compound notes
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