N-(2-aminophenyl)-4-((4-(4-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide
Basic information
- Standard SMILES
CN(C)CCOc1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1- InChIKey
ZEOFRHGPIZLTSA-UHFFFAOYSA-N- Molecular formula
- C28H30N6O2
- Average molar mass
- 482.6 g/mol
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-4-((4-(4-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide
- IUPAC
- N-(2-aminophenyl)-4-[[[4-[4-[2-(dimethylamino)ethoxy]phenyl]pyrimidin-2-yl]amino]methyl]benzamide
Names & synonyms
CHEMBL480043SCHEMBL209388ZEOFRHGPIZLTSA-UHFFFAOYSA-NBDBM50255469N-(2-Amino-phenyl)-4-({4-[4-(2-dimethylamino-ethoxy)-phenyl]-pyrimidin-2-ylamino}-methyl)-benzamideN-(2-aminophenyl)-4-((4-(4-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide
Database identifiers
- PubChem CID
- 44570974
- ChEMBL
CHEMBL480043
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 648
Related reactions
4 records
Compound notes
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