Basic information
- CAS
62637-00-7- Standard SMILES
CCN(CC)CCn1cnc2c1c(=O)[nH]c(=O)n2C- InChIKey
CGQBUAOZFNGDPN-UHFFFAOYSA-N- Molecular formula
- C12H19N5O2
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.15387487
Names & identifiers
- Preferred name
- 7-[2-(Diethylamino)ethyl]-3-methylpurine-2,6-dione
- IUPAC
- 7-[2-(diethylamino)ethyl]-3-methylpurine-2,6-dione
Names & synonyms
AC1N0EDJ62637-00-7DTXSID303980837-[2-(Diethylamino)ethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
62637-00-7- PubChem CID
- 3936458
- DTXSID
DTXSID30398083
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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