Basic information
- Standard SMILES
COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2cn(C)c3ccccc23)n1- InChIKey
NAIQFJQMXDXVRV-UHFFFAOYSA-N- Molecular formula
- C20H15ClFN5O3
- Average molar mass
- 427.8 g/mol
- Monoisotopic mass
- 427.0847452
Names & identifiers
- Preferred name
- 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
- IUPAC
- 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
Names & synonyms
SCHEMBL14661011NAIQFJQMXDXVRV-UHFFFAOYSA-N5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
Database identifiers
- PubChem CID
- 71239282
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 613
Related reactions
9 records
Compound notes
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