Basic information
- CAS
34289-21-9- Standard SMILES
Cc1nc(N)nc(N)c1N=Nc1ccccc1- InChIKey
GSMJVAYVGSFGJE-UHFFFAOYSA-N- Molecular formula
- C11H12N6
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.11234441
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 6-methyl-5-(phenylazo)-
- IUPAC
- 6-methyl-5-phenyldiazenylpyrimidine-2,4-diamine
Names & synonyms
Py-77BRN 02266572,4-Pyrimidinediamine, 6-methyl-5-(phenylazo)-2,4-Diamino-6-methyl-5-phenylazopyrimidine34289-21-9Pyrimidine, 2,4-diamino-6-methyl-5-phenylazo-SCHEMBL11275822
Database identifiers
- CAS
34289-21-9- PubChem CID
- 214812
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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