Basic information
- CAS
2800-92-2- Standard SMILES
Cc1nc(Cl)cc(NP(=O)(N2CC2)N2CC2)n1- InChIKey
RHOSUYHWZMYQSV-UHFFFAOYSA-N- Molecular formula
- C9H13ClN5OP
- Average molar mass
- 273.66 g/mol
- Monoisotopic mass
- 273.0546247
Names & identifiers
- Preferred name
- Phosphinic amide, P,P-bis(1-aziridinyl)-N-(6-chloro-2-methyl-4-pyrimidinyl)-
- IUPAC
- N-[bis(aziridin-1-yl)phosphoryl]-6-chloro-2-methylpyrimidin-4-amine
Names & synonyms
BRN 09231832800-92-2Phosphinic amide, P,P-bis(1-aziridinyl)-N-(6-chloro-2-methyl-4-pyrimidinyl)-DTXSID70182286P,P-Bis(1-aziridinyl)-N-(6-chloro-2-methyl-4-pyrimidinyl)phosphinic amideRefChem:370275DTXCID80104777P,P-bis(aziridin-1-yl)-N-(6-chloro-2-methylpyrimidin-4-yl)phosphinic amide
Database identifiers
- CAS
2800-92-2- PubChem CID
- 200837
- DTXSID
DTXSID70182286
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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