1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
Basic information
- CAS
5426-45-9- Standard SMILES
CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C- InChIKey
KPSYSSQIKZMIBA-UHFFFAOYSA-N- Molecular formula
- C8H11N5O2
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.09127461
Names & identifiers
- Preferred name
- 1,3-Dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedione
- IUPAC
- 1,3-dimethyl-8-(methylamino)-7H-purine-2,6-dione
- English name
- 1,3-dimethyl-8-methylamino-7H-purine-2,6-dione
- Molecular formula
- C8H11N5O2
- Molecular weight
- 209.21
Names & synonyms
5426-45-91,3-dimethyl-8-(methylamino)-2,3,6,7-tetrahydro-1h-2,6-purinedioneDTXSID40279773RefChem:218774DTXCID60230927NSC141018-methylaminotheophyllinOprea1_217759SCHEMBL516338HMS1667K20NSC-14101AKOS009227229
Show more names
1,3-dimethyl-8-methylamino-7H-purine-2,6-dione1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-(methylamino)-
CCG-245825Z3592975861,3-Dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
5426-45-9- PubChem CID
- 225041
- DTXSID
DTXSID40279773
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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