Basic information
- CAS
269055-11-0- Standard SMILES
Cc1cc(C#N)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)ncc1C#N- InChIKey
INNRTYATIQKSRB-UHFFFAOYSA-N- Molecular formula
- C21H15N7
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.13889351
Names & identifiers
- Preferred name
- 4-[(4-Cyano-2,6-dimethylphenyl)amino]-2-[(4-cyanophenyl)amino]pyrimidine-5-carbonitrile
- IUPAC
- 2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylanilino)pyrimidine-5-carbonitrile
Names & synonyms
CHEMBL698904-[(4-Cyano-2,6-dimethylphenyl)amino]-2-[(4-cyanophenyl)amino]pyrimidine-5-carbonitrileDTXSID701125185BDBM504673262-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylanilino)pyrimidine-5-carbonitrile269055-11-02-(4-cyanoanilino)-4-(4-cyano-2,6-dimethyl-anilino)pyrimidine-5-carbonitrile4-[(4-Cyano-2,6-dimethylphenyl)amino]-2-[(4-cyanophenyl)amino]-5-pyrimidinecarbonitrile
Database identifiers
- CAS
269055-11-0- PubChem CID
- 486387
- DTXSID
DTXSID701125185- ChEMBL
CHEMBL69890- Nikkaji
- J1.588.792C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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