4-(4-((3-bromopropyl)amino)-6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
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Basic information
- Standard SMILES
CNc1nccc(-c2cc(NCCCBr)c3cc(OC)ccc3c2)n1- InChIKey
WCJKVNORGNWBQS-UHFFFAOYSA-N- Molecular formula
- C19H21BrN4O
- Average molar mass
- 401.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-((3-bromopropyl)amino)-6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
- IUPAC
- 4-[4-(3-bromopropylamino)-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
Names & synonyms
SCHEMBL2178230WCJKVNORGNWBQS-UHFFFAOYSA-N4-(4-((3-bromopropyl)amino)-6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
Database identifiers
- PubChem CID
- 53258165
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Related reactions
5 records
Compound notes
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