Basic information
- Standard SMILES
COc1cc(N2CCN(C)CC2)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1N- InChIKey
MWNXHYIQGOPYBN-UHFFFAOYSA-N- Molecular formula
- C25H29N7O
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.24335857
Names & identifiers
- Preferred name
- 4-Methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
- IUPAC
- 4-methoxy-1-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
Names & synonyms
SCHEMBL14719016SCHEMBL31367926MWNXHYIQGOPYBN-UHFFFAOYSA-N4-Methoxy-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
Database identifiers
- PubChem CID
- 86677342
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
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