Basic information
- CAS
40799-92-6- Standard SMILES
CN(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C- InChIKey
RUNUZWJDXHRZTK-UHFFFAOYSA-N- Molecular formula
- C15H17N5O2
- Average molar mass
- 299.33 g/mol
- Monoisotopic mass
- 299.1382248
Names & identifiers
- Preferred name
- 3,9-Dihydro-1,3-dimethyl-8-[methyl(phenylmethyl)amino]-1H-purine-2,6-dione
- IUPAC
- 8-[benzyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
40799-92-63,9-Dihydro-1,3-dimethyl-8-[methyl(phenylmethyl)amino]-1H-purine-2,6-dione3,9-Dihydro-1,3-dimethyl-8-(methyl(phenylmethyl)amino)-1H-purine-2,6-dioneRefChem:2728008-(benzyl(methyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione8-[benzyl(methyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneOprea1_002461Oprea1_648315F3176-00078-[benzyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dioneDTXSID001145500STK804451
Show more names
AKOS001598059CCG-233348EU-0070921VU0122791-2SR-01000427671SR-01000427671-1Z21574686051H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-[methyl(phenylmethyl)amino]-
Database identifiers
- CAS
40799-92-6- PubChem CID
- 726945
- DTXSID
DTXSID001145500
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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