7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
Basic information
- CAS
389060-02-0- Standard SMILES
Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2ccccc2)n(C)c1=O- InChIKey
QFSMMXJBEBXTJP-UHFFFAOYSA-N- Molecular formula
- C18H22N6O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18042397
Overview
7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione is an oxopurine and a member of piperazines.
Names & identifiers
- Preferred name
- 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione
- IUPAC
- 7-benzyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
- English name
- 7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C18H22N6O2
- Molecular weight
- 354.41
Names & synonyms
7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dioneCHEBI:455654-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazin-1-iumRefChem:545500BDPX389060-02-0CHEMBL2351347-benzyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione7-benzyl-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Show more names
7-BENZYL-1,3-DIMETHYL-8-(1-PIPERAZINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)-8-(1-piperazinyl)-
BAS 015472681,3-dimethyl-7-benzyl-8-piperazinyl-1,3,7-trihydropurine-2,6-dione2aj8Oprea1_659815Oprea1_824962MLS001205201SCHEMBL5323627HMS3604O13
Database identifiers
- CAS
389060-02-0- PubChem CID
- 978607
- ChEMBL
CHEMBL235134- ChEBI
CHEBI:45565- EC Number
- 114-427-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 7-benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydropurine-2,6-dione is an oxopurine and a member of piperazines.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…