1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-
Basic information
- CAS
161559-34-8- Standard SMILES
CN(CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1- InChIKey
KKHFRAFPESRGGD-UHFFFAOYSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16952493
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-
- IUPAC
- 1,3-dimethyl-7-[3-(N-methylanilino)propyl]purine-2,6-dione
Names & synonyms
161559-34-81H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-3,7-Dihydro-1,3-dimethyl-7-(3-(methylphenylamino)propyl)-1H-purine-2,6-dioneDTXSID10167193RefChem:239558DTXCID60896841,3-dimethyl-7-{3-[methyl(phenyl)amino]propyl}-3,7-dihydro-1h-purine-2,6-dione
Database identifiers
- CAS
161559-34-8- PubChem CID
- 216341
- DTXSID
DTXSID10167193- Nikkaji
- J614.469A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…