Basic information
- Standard SMILES
COc1cccc(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)c1- InChIKey
CROPXVXORWPZNY-UHFFFAOYSA-N- Molecular formula
- C21H17N5O
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.14331018
Names & identifiers
- Preferred name
- 4-(3-Methoxyanilino)-2,6-di(2-pyridinyl)pyrimidine
- IUPAC
- N-(3-methoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
Names & synonyms
SCHEMBL5016160CROPXVXORWPZNY-UHFFFAOYSA-N4-(3-Methoxyanilino)-2,6-di(2-pyridinyl)pyrimidine
Database identifiers
- PubChem CID
- 22732500
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Related reactions
3 records
Compound notes
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