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Basic information
- Standard SMILES
Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(=O)(=O)CCN(C)C)CC4)cc3)n2)n1C(C)C- InChIKey
SFQJTSXHVUPLIV-UHFFFAOYSA-N- Molecular formula
- C25H36N8O2S
- Average molar mass
- 512.7 g/mol
Names & identifiers
- Preferred name
- 2-{4-[4-(2-Dimethylaminoethylsulphonyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
- IUPAC
- N-[4-[4-[2-(dimethylamino)ethylsulfonyl]piperazin-1-yl]phenyl]-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
Names & synonyms
CHEMBL477785SCHEMBL3556094SFQJTSXHVUPLIV-UHFFFAOYSA-NBDBM502630682-{4-[4-(2-Dimethylaminoethylsulphonyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidineN-(4-(4-(2-(dimethylamino)ethylsulfonyl)piperazin-1-yl)phenyl)-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 44578615
- ChEMBL
CHEMBL477785
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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