4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
Basic information
- CAS
244767-74-6- Standard SMILES
Cc1cc(C)c(Oc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1- InChIKey
FOAAECKTFHPTHX-UHFFFAOYSA-N- Molecular formula
- C20H18N4O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.14806121
Names & identifiers
- Preferred name
- 4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
- IUPAC
- 4-[[4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile
Names & synonyms
4-[[4-(2,4,6-trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile4-{[4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino}benzonitrile4-[[4-(2,4,6-trimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile4-[(4-(2,4,6-trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrileCHEMBL305803SCHEMBL1182300FOAAECKTFHPTHX-UHFFFAOYSA-NDTXSID301175588244767-74-6Benzonitrile, 4-[[4-(4-bromo-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]-
Database identifiers
- CAS
244767-74-6- PubChem CID
- 488767
- DTXSID
DTXSID301175588- ChEMBL
CHEMBL305803- Nikkaji
- J1.588.777J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Related reactions
6 records
Compound notes
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