Basic information
- CAS
85592-12-7- Standard SMILES
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1- InChIKey
UZIMMJMXSWGJRN-UHFFFAOYSA-N- Molecular formula
- C15H13N5O2
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.10692467
Names & identifiers
- Preferred name
- 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-phenyl-
- IUPAC
- 4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
- English name
- 1,7-Dimethyl-8-phenyl-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dione
- Molecular formula
- C15H13N5O2
- Molecular weight
- 295.3
Names & synonyms
85592-12-71,7-DIMETHYL-8-PHENYL-1H-IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-phenyl-1,7-Dimethyl-8-phenyl-1H-imidazo(2,1-f)purine-2,4(3H,8H)-dioneDTXSID70234810RefChem:237826DTXCID00157301BAS 015416151,7-dimethyl-8-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dioneOprea1_775198Oprea1_833149
Show more names
Reaxys ID: 51315991H-Imidazo[2,1-f]purine-2,4(3H,8H)-dione, 1,7-dimethyl-8-phenyl- (9CI)
SBB084776STK598996AKOS000580877AKOS0055201941,7-DIMETHYL-8-PHENYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONEST50009700VU0606746-1SR-01000357353
Database identifiers
- CAS
85592-12-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 301 · 301-302 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 9.38 · 9.38±0.20(Predicted)
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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