7-Benzyl-8-(diethylamino)-3-methylpurine-2,6-dione
Basic information
- CAS
304446-11-5- Standard SMILES
CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1- InChIKey
GXWSOHXMBGNQQB-UHFFFAOYSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16952493
Names & identifiers
- Preferred name
- 7-Benzyl-8-(diethylamino)-3-methylpurine-2,6-dione
- IUPAC
- 7-benzyl-8-(diethylamino)-3-methylpurine-2,6-dione
Names & synonyms
304446-11-57-benzyl-8-(diethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione7-benzyl-8-(diethylamino)-3-methylpurine-2,6-dioneOprea1_090433Oprea1_174015MLS001207510F0381-3781CHEMBL1335036DTXSID401323526HMS2832M227-benzyl-8-(diethylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione7-Benzyl-8-diethylamino-3-methyl-3,7-dihydro-purine-2,6-dione
Show more names
AKOS000576914SMR000505109EU-0014391ST50000497AH-034/33703018SR-01000506605SR-01000506605-18-(diethylamino)-3-methyl-7-benzyl-1,3,7-trihydropurine-2,6-dione
Database identifiers
- CAS
304446-11-5- PubChem CID
- 706601
- DTXSID
DTXSID401323526- ChEMBL
CHEMBL1335036
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility30.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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