1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
Basic information
- CAS
71527-03-2- Standard SMILES
CN1CCN(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1- InChIKey
KVYOGLSVXQQNHA-UHFFFAOYSA-N- Molecular formula
- C13H20N6O2
- Average molar mass
- 292.34 g/mol
- Monoisotopic mass
- 292.1647739
Names & identifiers
- Preferred name
- 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
- IUPAC
- 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione
Names & synonyms
71527-03-21,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7H-purine-2,6-dione1,3-dimethyl-8-[(4-methylpiperazinyl)methyl]-1,3,7-trihydropurine-2,6-dioneBAS 07401415STK652795AKOS000722003AKOS0055835081,3-Dimethyl-8-((4-methylpiperazin-1-yl)methyl)-3,7-dihydro-1H-purine-2,6-dioneST502834811,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,9-dihydro-1H-purine-2,6-dione
Database identifiers
- CAS
71527-03-2- PubChem CID
- 853497
- EC Number
- 120-371-3
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
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%)
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Related reactions
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Compound notes
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