Basic information
- CAS
27961-99-5- Standard SMILES
Cc1nc(N)nc(-c2ccccc2)c1N=Nc1cccc([N+](=O)[O-])c1- InChIKey
SSOFYBZMAOIGOY-UHFFFAOYSA-N- Molecular formula
- C17H14N6O2
- Average molar mass
- 334.33 g/mol
- Monoisotopic mass
- 334.11782371
Names & identifiers
- Preferred name
- 4-Methyl-5-[(3-nitrophenyl)diazenyl]-6-phenylpyrimidin-2-amine
- IUPAC
- 4-methyl-5-[(3-nitrophenyl)diazenyl]-6-phenylpyrimidin-2-amine
Names & synonyms
27961-99-54-methyl-5-[(3-nitrophenyl)diazenyl]-6-phenylpyrimidin-2-amine4-methyl-5-[(e)-(3-nitrophenyl)diazenyl]-6-phenylpyrimidin-2-amineNSC132507DTXSID90299749NSC-132507
Database identifiers
- CAS
27961-99-5- PubChem CID
- 280628
- DTXSID
DTXSID90299749
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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