2,6-Diamino-8-phenylpurine

HCID 99545

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Basic information

CAS: 26216-55-7
Standard SMILES: Nc1nc(N)c2[nH]c(-c3ccccc3)nc2n1
InChIKey: WGJICLLGFIVHNE-UHFFFAOYSA-N
Molecular formula: C11H10N6
Average molar mass: 226.24 g/mol
Monoisotopic mass: 226.09669434

Names & identifiers

Preferred name: 2,6-Diamino-8-phenylpurine
IUPAC: 8-phenyl-7H-purine-2,6-diamine

Names & synonyms

8-phenyl-9H-purine-2,6-diamine2,6-Diamino-8-phenylpurinePurine, 2,6-diamino-8-phenyl-VD1P0VG5Q41H-Purine-2,6-diamine, 8-phenyl-9H-Purine-2,6-diamine, 8-phenyl-UNII-VD1P0VG5Q4NSC 240525NSC-240525DTXSID40180855RefChem:83117DTXCID80103346

Show more names

Purine, 2,6-diamino-8-phenyl-(8CI)1H-Purine-2,6-diamine, 8-phenyl-(9CI)26216-55-7CHEMBL660778-phenyl-7H-purine-2,6-diaminePurine, 2,6-diamino-8-phenyl- (8CI)1H-Purine-2, 8-phenyl-Purine,6-diamino-8-phenyl-

Database identifiers

CAS: 26216-55-7
PubChem CID: 99545
DTXSID: DTXSID40180855
ChEMBL: CHEMBL66077
UNII: VD1P0VG5Q4
Nikkaji: J331.967I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 107 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 267

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