2-(Aziridin-1-yl)-n-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
Basic information
- CAS
1582-06-5- Standard SMILES
Cc1nc(N2CC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-]- InChIKey
DRNOOCOKXXSBSL-UHFFFAOYSA-N- Molecular formula
- C13H12FN5O2
- Average molar mass
- 289.26 g/mol
- Monoisotopic mass
- 289.0975028
Names & identifiers
- Preferred name
- 2-(Aziridin-1-yl)-n-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
- IUPAC
- 2-(aziridin-1-yl)-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
Names & synonyms
1582-06-52-(aziridin-1-yl)-n-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amineNSC53685DTXSID40287959NSC-53685
Database identifiers
- CAS
1582-06-5- PubChem CID
- 243597
- DTXSID
DTXSID40287959
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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