Basic information
- Standard SMILES
CCOC(=O)Nc1ccc2c(c1)CN(c1cc(N3CCN(C)CC3)nc(N)n1)CC2- InChIKey
KXRDDOKVPJGEFU-UHFFFAOYSA-N- Molecular formula
- C21H29N7O2
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- Ethyl {2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydro isoquinolin-7-yl}carbamate
- IUPAC
- ethyl N-[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamate
Names & synonyms
SCHEMBL13243470KXRDDOKVPJGEFU-UHFFFAOYSA-NEthyl {2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydro isoquinolin-7-yl}carbamateEthyl {2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-yl}carbamate
Database identifiers
- PubChem CID
- 46701460
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
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