Basic information
- CAS
64441-00-5- Standard SMILES
O=[N+]([O-])c1c(N2CC2)ncnc1N1CC1- InChIKey
PMEYLWZGOMTHPH-UHFFFAOYSA-N- Molecular formula
- C8H9N5O2
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.07562455
Names & identifiers
- Preferred name
- Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-
- IUPAC
- 4,6-bis(aziridin-1-yl)-5-nitropyrimidine
Names & synonyms
Pyrimidine, 4,6-bis(1-aziridinyl)-5-nitro-64441-00-5BRN 02493454,6-Bis(1-aziridinyl)-5-nitropyrimidine4,6-bis(aziridin-1-yl)-5-nitropyrimidine5-Nitro-4,6-bis-ethyleneiminopyrimidine4-25-00-02817 (Beilstein Handbook Reference)DTXSID90214699
Database identifiers
- CAS
64441-00-5- PubChem CID
- 149209
- DTXSID
DTXSID90214699- Nikkaji
- J70.304D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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