1-(2-chloro-6-fluorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
Basic information
- CAS
93371-87-0- Standard SMILES
Fc1cccc(Cl)c1C(Nc1ncccn1)Nc1ncccn1- InChIKey
QDKXMRGRONCEOE-UHFFFAOYSA-N- Molecular formula
- C15H12ClFN6
- Average molar mass
- 330.75 g/mol
- Monoisotopic mass
- 330.0796003
Names & identifiers
- Preferred name
- 1-(2-chloro-6-fluorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
- IUPAC
- 1-(2-chloro-6-fluorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
Names & synonyms
93371-87-0NSC3647321-(2-chloro-6-fluorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamineDTXSID10320807NSC-364732
Database identifiers
- CAS
93371-87-0- PubChem CID
- 339223
- DTXSID
DTXSID10320807
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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