Basic information
- Standard SMILES
COc1cc(N2CC(N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1- InChIKey
ALTJYZWBHNPIGV-UHFFFAOYSA-N- Molecular formula
- C26H29N7O3
- Average molar mass
- 487.6 g/mol
Names & identifiers
- Preferred name
- N-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-amine
- IUPAC
- N-[4-[3-(dimethylamino)azetidin-1-yl]-2-methoxy-5-nitrophenyl]-5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL14663334SCHEMBL29974543ALTJYZWBHNPIGV-UHFFFAOYSA-NN-[4-(3-dimethylaminoazetidin-1-yl)-2-methoxy-5-nitrophenyl]-5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 71240800
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 760
Related reactions
2 records
Compound notes
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