n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Basic information
- CAS
49753-48-2- Standard SMILES
Nc1nc(N)c(N=O)c(Nc2ccc(I)cc2)n1- InChIKey
CRJCMDFURROWOI-UHFFFAOYSA-N- Molecular formula
- C10H9IN6O
- Average molar mass
- 356.12 g/mol
- Monoisotopic mass
- 355.98826
Names & identifiers
- Preferred name
- n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine
- IUPAC
- 4-N-(4-iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Names & synonyms
49753-48-2n4-(4-iodophenyl)-5-nitrosopyrimidine-2,4,6-triamineNSC62752CHEMBL1989042DTXSID10289687NSC-62752NCI60_008768Pyrimidine,4-diamino-6-(p-iodoanilino)-5-nitroso-N~4~-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Database identifiers
- CAS
49753-48-2- PubChem CID
- 247696
- DTXSID
DTXSID10289687- ChEMBL
CHEMBL1989042
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
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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