1H-Purine-2,6-dione, 1,7-diethyl-2,3,6,7-tetrahydro-3-methyl-
Basic information
- CAS
54889-96-2- Standard SMILES
CCn1c(=O)c2c(ncn2CC)n(C)c1=O- InChIKey
PUHCQHGITXYVPE-UHFFFAOYSA-N- Molecular formula
- C10H14N4O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.1116757
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 1,7-diethyl-2,3,6,7-tetrahydro-3-methyl-
- IUPAC
- 1,7-diethyl-3-methylpurine-2,6-dione
- English name
- 1,7-Diethyl-2,3,6,7-tetrahydro-3-methyl-1H-purine-2,6-dione
- Molecular formula
- C10H14N4O2
- Molecular weight
- 222.24
Names & synonyms
NSC51547354889-96-21H-Purine-2,6-dione, 1,7-diethyl-2,3,6,7-tetrahydro-3-methyl-SCHEMBL22471417DTXSID80325662PUHCQHGITXYVPE-UHFFFAOYSA-N1,7-Diethyl-2,3,6,7-tetrahydro-3-methyl-1H-purine-2,6-dioneNSC-515473DB-311575NS001138041,7-Diethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione1,7-Diethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione #
Show more names
1H-Purine-2,6-dione, 1,7-diethyl-3,7-dihydro-3-methyl-
1H-Purine-2, 1,7-diethyl-2,3,6,7-tetrahydro-3-methyl-
Database identifiers
- CAS
54889-96-2- PubChem CID
- 350720
- DTXSID
DTXSID80325662- Nikkaji
- J102.823E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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