Basic information
- Standard SMILES
CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)Cc3ccc(N5CCCC5)nc3)CC4)nc(N)n2)CC1- InChIKey
JNLMPWHSGPIUMZ-UHFFFAOYSA-N- Molecular formula
- C29H36N8O
- Average molar mass
- 512.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-1-yl)-6-{2-[(6-pyrrolidin-1-ylpyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl}pyrimidin-2-amine
- IUPAC
- 1-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
Names & synonyms
SCHEMBL2804153JNLMPWHSGPIUMZ-UHFFFAOYSA-N4-(4-methylpiperazin-1-yl)-6-{2-[(6-pyrrolidin-1-ylpyridin-3-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-7-yl}pyrimidin-2-amine
Database identifiers
- PubChem CID
- 49779374
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 785
Related reactions
2 records
Compound notes
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