Basic information
- Standard SMILES
CCN(CC)CCOc1ccc(Nc2nccc(-c3c[nH]nc3-c3cccc(C)c3)n2)cc1- InChIKey
SYEDHPNRODCZJS-UHFFFAOYSA-N- Molecular formula
- C26H30N6O
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.2481096
Names & identifiers
- Preferred name
- [4-(2-Diethylamino-ethoxy)-phenyl]-[4-(3-m-tolyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
- IUPAC
- N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(3-methylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL3254344SYEDHPNRODCZJS-UHFFFAOYSA-N[4-(2-Diethylamino-ethoxy)-phenyl]-[4-(3-m-tolyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
Database identifiers
- PubChem CID
- 68568709
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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