Basic information
- CAS
7253-49-8- Standard SMILES
Cc1ccc(Nc2nc(N)nc(N)c2N=O)c(C)c1- InChIKey
AGKLLPHMLLXSKN-UHFFFAOYSA-N- Molecular formula
- C12H14N6O
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.12290909
Names & identifiers
- Preferred name
- n4-(2,4-Dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamine
- IUPAC
- 4-N-(2,4-dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamine
Names & synonyms
7253-49-8n4-(2,4-dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamineNSC57063DTXSID60288645NSC-57063DS-002362N~4~-(2,4-Dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamineN4-(2,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
Database identifiers
- CAS
7253-49-8- PubChem CID
- 245288
- DTXSID
DTXSID60288645
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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