1,3-Dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione
Basic information
- CAS
5436-40-8- Standard SMILES
Cn1c(=O)c2[nH]c(CN3CCCCC3)nc2n(C)c1=O- InChIKey
WEQGXBNPZNTPGK-UHFFFAOYSA-N- Molecular formula
- C13H19N5O2
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.15387487
Names & identifiers
- Preferred name
- 1,3-Dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione
- IUPAC
- 1,3-dimethyl-8-(piperidin-1-ylmethyl)-7H-purine-2,6-dione
Names & synonyms
5436-40-81,3-dimethyl-8-(piperidin-1-ylmethyl)-3,7-dihydro-1h-purine-2,6-dione1,3-dimethyl-8-(piperidin-1-ylmethyl)-7H-purine-2,6-dioneMLS0026388061,3-dimethyl-8-(piperidin-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-8-(piperidylmethyl)-1,3,7-trihydropurine-2,6-dioneNSC21711CHEMBL1718542DTXSID10969452HMS3086J07FAA43640NSC-21711
Show more names
SBB085032STL341966AKOS000721841SMR001535970ST50296849AB00674464-01F1468-0042Z324814350
Database identifiers
- CAS
5436-40-8- PubChem CID
- 228633
- DTXSID
DTXSID10969452- ChEMBL
CHEMBL1718542
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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