Basic information
- Standard SMILES
COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2cn(C)c3ccccc23)n1- InChIKey
SAWKTTKSOZKWAO-UHFFFAOYSA-N- Molecular formula
- C25H27N7O3
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.21753775
Names & identifiers
- Preferred name
- N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
- IUPAC
- N-[4-[3-(dimethylamino)azetidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL14663326SCHEMBL30219214SAWKTTKSOZKWAO-UHFFFAOYSA-NN-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 71240795
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 730
Related reactions
2 records
Compound notes
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