P-(3-Aminophenyl)-N,N'-bis(5-chloropyrimidin-2-yl)phosphonic diamide
Basic information
- CAS
6339-34-0- Standard SMILES
Nc1cccc(P(=O)(Nc2ncc(Cl)cn2)Nc2ncc(Cl)cn2)c1- InChIKey
FEKFSELIBXCMBI-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2N7OP
- Average molar mass
- 396.2 g/mol
- Monoisotopic mass
- 395.0218004
Names & identifiers
- Preferred name
- P-(3-Aminophenyl)-N,N'-bis(5-chloropyrimidin-2-yl)phosphonic diamide
- IUPAC
- N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloropyrimidin-2-amine
Names & synonyms
6339-34-0NSC13017DTXSID50328246NSC-13017P-(3-Aminophenyl)-N,N'-bis(5-chloropyrimidin-2-yl)phosphonic diamide
Database identifiers
- CAS
6339-34-0- PubChem CID
- 408358
- DTXSID
DTXSID50328246
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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