7-[2-[2-Hydroxyethyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
Basic information
- CAS
64897-71-8- Standard SMILES
CN(CCO)CCn1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
ZWLHBRYJJFJHCC-UHFFFAOYSA-N- Molecular formula
- C12H19N5O3
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.14878949
Names & identifiers
- Preferred name
- 7-[2-[2-Hydroxyethyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
- IUPAC
- 7-[2-[2-hydroxyethyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
- English name
- 3,7-Dihydro-7-[2-[(2-hydroxyethyl)methylamino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione
- Molecular formula
- C12H19N5O3
- Molecular weight
- 281.31
Names & synonyms
AC1L93PSDTXSID5033133164897-71-87-{2-[(2-Hydroxyethyl)(methyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione7-[2-[N-(2-Hydroxyethyl)-N-methylamino]ethyl]theophyline3,7-Dihydro-7-[2-[(2-hydroxyethyl)methylamino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[(2-hydroxyethyl)methylamino]ethyl]-1,3-dimethyl-
Database identifiers
- CAS
64897-71-8- PubChem CID
- 437448
- DTXSID
DTXSID50331331- Nikkaji
- J395.407B
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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