3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
Basic information
- CAS
85872-53-3- Standard SMILES
CCCn1c(=O)c2[nH]c(-c3ccccc3)nc2n(CCC)c1=O- InChIKey
CLIGSMOZKDCDRZ-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2
- Average molar mass
- 312.37 g/mol
- Monoisotopic mass
- 312.15862589
Overview
8-phenyl-1,3-dipropyl-7H-purine-2,6-dione is an oxopurine.
Names & identifiers
- Preferred name
- 3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
- IUPAC
- 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
- English name
- 1,3-Dipropyl-8-phenylxanthine
- Molecular formula
- C17H20N4O2
- Molecular weight
- 312.37
Names & synonyms
1,3-Dipropyl-8-phenylxanthine85872-53-3DppxRefChem:9107943,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dioneNPC 2008-phenyl-1,3-dipropyl-7H-purine-2,6-dione8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dioneCHEMBL1585071H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl-3,7-Dihydro-1,3-dipropyl-8-phenyl-1H-purine-2,6,dione8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione
Show more names
NPC-2003-Dipropyl-8-phenylxanthineAdenosine receptor A1 antagonist 51,3-Dipropyl-8-phenyl-7H-purine-2,6(1H,3H)-dione1,3-Dipropyl-8-phenyl-1H-purine-2,6(3H,7H)-dionedione,3,7-dihydro-1,3-dipropyl-8-phenyl-1h-purine-6
NCGC00024614-01Tocris-0486SCHEMBL661108orb1704778SCHEMBL12648449BDBM82025CHEBI:107631CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Database identifiers
- CAS
85872-53-3- PubChem CID
- 128784
- DTXSID
DTXSID201006449- ChEMBL
CHEMBL158507- ChEBI
CHEBI:107631- Nikkaji
- J351.225H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- RTECS
- 8430880 · UO8430880
- storage temp.
- Store at RT
- solubility
- Soluble in ethanol (5 mM), or DMSO (10 mM) with warming
- form
- Powder
Chemistry & industry
Applications
Uses1,3-Dipropyl-8-phenylxanthine is a selective A1 adenosine antagonist. 1,3-Dialkyl-8-(p-sulfophenyl)xanthines are potent water-soluble antagonists for A1 and A2 adenosine receptors.
Additional notes
DefinitionChEBI: 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione is an oxopurine.
Related reactions
2 records
Compound notes
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