8-[(2,2-Diethoxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
6278-78-0- Standard SMILES
CCOC(CNc1nc2c(c(=O)n(C)c(=O)n2C)n1C)OCC- InChIKey
HLRWJSMRQWRNIR-UHFFFAOYSA-N- Molecular formula
- C14H23N5O4
- Average molar mass
- 325.36 g/mol
- Monoisotopic mass
- 325.17500423
Names & identifiers
- Preferred name
- 8-[(2,2-Diethoxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 8-(2,2-diethoxyethylamino)-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
6278-78-08-((2,2-Diethoxyethyl)amino)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione8-[(2,2-diethoxyethyl)amino]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-[(2,2-diethoxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dioneNSC34464DTXSID60283953NSC-34464DS-0092448-(2,2-diethoxyethylamino)-1,3,7-trimethyl-purine-2,6-dione
Database identifiers
- CAS
6278-78-0- PubChem CID
- 234487
- DTXSID
DTXSID60283953
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…