5-Nitro-2-phenylpyrimidine-4,6-diamine
Basic information
- CAS
3346-20-1- Standard SMILES
Nc1nc(-c2ccccc2)nc(N)c1[N+](=O)[O-]- InChIKey
ITRVIIQLOSKPSR-UHFFFAOYSA-N- Molecular formula
- C10H9N5O2
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.07562455
Names & identifiers
- Preferred name
- 5-Nitro-2-phenylpyrimidine-4,6-diamine
- IUPAC
- 5-nitro-2-phenylpyrimidine-4,6-diamine
Names & synonyms
5-nitro-2-phenylpyrimidine-4,6-diamine3346-20-1NSC99409DTXSID70295047NSC-99409
Database identifiers
- CAS
3346-20-1- PubChem CID
- 264349
- DTXSID
DTXSID70295047
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
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Compound notes
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