4-[[4-(4-Chloro-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile
Basic information
- CAS
244767-93-9- Standard SMILES
Cc1cc(Cl)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1- InChIKey
OHXOCXBRWUNFFD-UHFFFAOYSA-N- Molecular formula
- C19H16ClN5
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.1094232
Names & identifiers
- Preferred name
- 4-[[4-(4-Chloro-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile
- IUPAC
- 4-[[4-(4-chloro-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Names & synonyms
4-[[4-(4-chloro-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrileBenzonitrile, 4-[[4-[(4-chloro-2,6-dimethylphenyl)amino]-2-pyrimidinyl]amino]-78WED98MMRCHEMBL70554SCHEMBL11825594-[[4-[(4-chloro-2,6-dimethylphenyl)amino]-2-pyrimidinyl]amino]benzonitrile244767-93-9
Database identifiers
- CAS
244767-93-9- PubChem CID
- 488783
- ChEMBL
CHEMBL70554- UNII
- 78WED98MMR
- Nikkaji
- J1.588.782F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
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Related reactions
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Compound notes
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