Basic information
- CAS
5455-86-7- Standard SMILES
O=P(Nc1ncc(Cl)cn1)(Nc1ncc(Cl)cn1)c1ccccc1- InChIKey
WYVYAVCSIZYGBK-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2N6OP
- Average molar mass
- 381.2 g/mol
- Monoisotopic mass
- 380.0109014
Names & identifiers
- Preferred name
- N,N'-Bis(5-chloro-2-pyrimidinyl)-P-phenylphosphonic diamide
- IUPAC
- 5-chloro-N-[[(5-chloropyrimidin-2-yl)amino]-phenylphosphoryl]pyrimidin-2-amine
Names & synonyms
5455-86-7NSC5460N,N'-Bis(5-chloro-2-pyrimidinyl)-P-phenylphosphonic diamideDTXSID80328178NSC-5460N,N'-Bis(5-chloropyrimidin-2-yl)-P-phenylphosphonic diamide
Database identifiers
- CAS
5455-86-7- PubChem CID
- 407435
- DTXSID
DTXSID80328178
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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