Basic information
- Standard SMILES
NCCCNC(=O)c1cccc(Nc2nccc(-c3ccnc(NCCCO)c3)n2)c1- InChIKey
HRVOSAMCVBYOHB-UHFFFAOYSA-N- Molecular formula
- C22H27N7O2
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- N-[3-{N-(3-amino-propyl)-aminocarbonyl}-phenyl]-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamine
- IUPAC
- N-(3-aminopropyl)-3-[[4-[2-(3-hydroxypropylamino)-4-pyridinyl]pyrimidin-2-yl]amino]benzamide
Names & synonyms
SCHEMBL7811031HRVOSAMCVBYOHB-UHFFFAOYSA-NN-[3-{N-(3-amino-propyl)-aminocarbonyl}-phenyl]-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamine
Database identifiers
- PubChem CID
- 19689550
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
Loading…