Basic information
- CAS
78146-62-0- Standard SMILES
CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1C- InChIKey
OLWNZQWCIQPZKP-UHFFFAOYSA-N- Molecular formula
- C10H15N5O2
- Average molar mass
- 237.26 g/mol
- Monoisotopic mass
- 237.12257474
Names & identifiers
- Preferred name
- 8-(Dimethylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-(dimethylamino)-1,3,7-trimethylpurine-2,6-dione
- English name
- 8-(dimethylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C10H15N5O2
- Molecular weight
- 237.2584
Names & synonyms
78146-62-08-(Dimethylamino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dioneDTXSID00315323RefChem:311667DTXCID402664468-(dimethylamino)-1,3,7-trimethylpurine-2,6-dioneNSC293948ChemDiv2_005004Oprea1_552551OLWNZQWCIQPZKP-UHFFFAOYSA-N8-Dimethylamino-1,3,7-trimethyl-3,7-dihydropurine-2,6-dioneHMS1383D10
Show more names
HMS5090K117-methyl-8-dimethylaminotheophyllineCCG-25954STK760703AKOS000575735NSC-293948IDI1_003719AE-848/31997014
Database identifiers
- CAS
78146-62-0- PubChem CID
- 325367
- DTXSID
DTXSID00315323- Nikkaji
- J339.154J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 359
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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