Basic information
- CAS
6484-47-5- Standard SMILES
Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccccn3)n2)nc1- InChIKey
QERIBPHEBTWPBO-UHFFFAOYSA-N- Molecular formula
- C21H18N6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1592946
Names & identifiers
- Preferred name
- N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
- IUPAC
- N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
Names & synonyms
6484-47-5N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-2-yl)pyrimidin-4-aminePyridine-based ligand, 9N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-2-ylpyrimidin-4-amineCHEMBL406832BDBM21158DTXSID30409547
Database identifiers
- CAS
6484-47-5- PubChem CID
- 5201490
- DTXSID
DTXSID30409547- ChEMBL
CHEMBL406832
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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