Basic information
- CAS
64440-97-7- Standard SMILES
Cc1nc(N2CC2)c([N+](=O)[O-])c(N2CC2)n1- InChIKey
OMKVULOJMJNSHG-UHFFFAOYSA-N- Molecular formula
- C9H11N5O2
- Average molar mass
- 221.22 g/mol
- Monoisotopic mass
- 221.09127461
Names & identifiers
- Preferred name
- Pyrimidine, 4,6-bis(1-aziridinyl)-2-methyl-5-nitro-
- IUPAC
- 4,6-bis(aziridin-1-yl)-2-methyl-5-nitropyrimidine
Names & synonyms
Pyrimidine, 4,6-bis(1-aziridinyl)-2-methyl-5-nitro-64440-97-7BRN 02586454,6-bis(aziridin-1-yl)-2-methyl-5-nitropyrimidine5-Nitro-4,6-bis-ethyleneimino-2-methylpyrimidine4-25-00-02830 (Beilstein Handbook Reference)DTXSID10214696
Database identifiers
- CAS
64440-97-7- PubChem CID
- 149207
- DTXSID
DTXSID10214696- Nikkaji
- J70.300A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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