Basic information
- Standard SMILES
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(-c2cn(C)c3ccccc23)n1.Cl- InChIKey
YJMMDZVUGUPPPE-UHFFFAOYSA-N- Molecular formula
- C30H37Cl2N7O
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 581.2436642
Names & identifiers
- Preferred name
- 5-Chloro-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine HCl salt
- IUPAC
- 5-chloro-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine;hydrochloride
Names & synonyms
SCHEMBL517838YJMMDZVUGUPPPE-UHFFFAOYSA-N5-Chloro-N-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine HCl salt
Database identifiers
- PubChem CID
- 66710243
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 776
Related reactions
1 records
Compound notes
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