Basic information
- CAS
303973-03-7- Standard SMILES
CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1- InChIKey
AJWHLRZFKYIRAR-UHFFFAOYSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16952493
Names & identifiers
- Preferred name
- 8-(Ethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
- IUPAC
- 8-(ethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Names & synonyms
303973-03-78-(ethylamino)-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione8-Ethylamino-3-methyl-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione8-(ethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dioneOprea1_718782Oprea1_756946MLS001205033CHEMBL1402958DTXSID701323606HMS2823I06STK805995AKOS000717828
Show more names
SMR000515202ST50239080AG-690/11972365SR-01000506584SR-01000506584-1Z2238247628-(ethylamino)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione8-(ethylamino)-3-methyl-7-(3-phenylpropyl)-1,3,7-trihydropurine-2,6-dione
Database identifiers
- CAS
303973-03-7- PubChem CID
- 679671
- DTXSID
DTXSID701323606- ChEMBL
CHEMBL1402958
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Solubility20.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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