1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-methylphenyl)-1,3-dimethyl-
Basic information
- CAS
72898-66-9- Standard SMILES
Cc1cc(N)ccc1-n1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
XHTFYFNAYNXISO-UHFFFAOYSA-N- Molecular formula
- C14H15N5O2
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.12257474
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-methylphenyl)-1,3-dimethyl-
- IUPAC
- 7-(4-amino-2-methylphenyl)-1,3-dimethylpurine-2,6-dione
Names & synonyms
72898-66-91H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-methylphenyl)-1,3-dimethyl-DTXSID40223190RefChem:1058371DTXCID401456817563-73-77-(4-Amino-2-methylphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-(4-amino-2-methylphenyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneTheophylline, 7-(4-amino-o-tolyl)-BRN 11590137-(4-amino-2-methylphenyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC343265
Show more names
3,7-Dihydro-7-(4-amino-2-methylphenyl)-1,3-dimethyl-1H-purine-2,6-dioneNSC 343265NSC-343265
Database identifiers
- CAS
72898-66-9- PubChem CID
- 100677
- DTXSID
DTXSID40223190
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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