Basic information
- Standard SMILES
CN1CCN(c2cc(N3CCc4ccc(Br)cc4C3)nc(N)n2)CC1- InChIKey
AQYDCMMLRPGDRO-UHFFFAOYSA-N- Molecular formula
- C18H23BrN6
- Average molar mass
- 403.3 g/mol
Names & identifiers
- Preferred name
- 4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
- IUPAC
- 4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL2493429AQYDCMMLRPGDRO-UHFFFAOYSA-NDB-2051584-(7-Bromo-3,4-dihydro-2(1h)-isoquinolinyl)-6-(4-methyl-1-piperazinyl)-2-pyrimidinamine4-(7-bromo-3,4-dihydroisoquinolin-2 (1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine4-(7-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine1233524-18-9
Database identifiers
- PubChem CID
- 46701048
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Related reactions
45 records
Compound notes
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