2,4-Diamino-6-((3,4-dichlorophenyl)amino)pyrimidine-5-carbonitrile
Basic information
- CAS
7357-32-6- Standard SMILES
N#Cc1c(N)nc(N)nc1Nc1ccc(Cl)c(Cl)c1- InChIKey
GISWQUUUNVPUQZ-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N6
- Average molar mass
- 295.12 g/mol
- Monoisotopic mass
- 294.0187497
Names & identifiers
- Preferred name
- 2,4-Diamino-6-((3,4-dichlorophenyl)amino)pyrimidine-5-carbonitrile
- IUPAC
- 2,4-diamino-6-(3,4-dichloroanilino)pyrimidine-5-carbonitrile
Names & synonyms
7357-32-62,4-Diamino-6-((3,4-dichlorophenyl)amino)pyrimidine-5-carbonitrile2,4-diamino-6-[(3,4-dichlorophenyl)amino]pyrimidine-5-carbonitrile2,4-diamino-6-(3,4-dichloroanilino)pyrimidine-5-carbonitrileNSC73378DTXSID00291138NSC-73378
Database identifiers
- CAS
7357-32-6- PubChem CID
- 252133
- DTXSID
DTXSID00291138
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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