Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-
Basic information
- CAS
64440-99-9- Standard SMILES
O=[N+]([O-])c1c(N2CC2)nc(-c2ccccc2)nc1N1CC1- InChIKey
HFVQCSVHXWJJLF-UHFFFAOYSA-N- Molecular formula
- C14H13N5O2
- Average molar mass
- 283.29 g/mol
- Monoisotopic mass
- 283.10692467
Names & identifiers
- Preferred name
- Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-
- IUPAC
- 4,6-bis(aziridin-1-yl)-5-nitro-2-phenylpyrimidine
Names & synonyms
Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-2-phenyl-64440-99-9BRN 00432434,6-Bis(1-aziridinyl)-5-nitro-2-phenylpyrimidine5-Nitro-4,6-bis-ethyleneimino-2-phenylpyrimidine4,6-bis(aziridin-1-yl)-5-nitro-2-phenylpyrimidine4-25-00-03001 (Beilstein Handbook Reference)DTXSID30214698
Database identifiers
- CAS
64440-99-9- PubChem CID
- 149208
- DTXSID
DTXSID30214698- Nikkaji
- J70.305B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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