1H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl-
Basic information
- CAS
40171-75-3- Standard SMILES
Cn1c(=O)c2[nH]c(N3CCN(CCO)CC3)nc2n(C)c1=O- InChIKey
MFMUXBMPMXPWAT-UHFFFAOYSA-N- Molecular formula
- C13H20N6O3
- Average molar mass
- 308.34 g/mol
- Monoisotopic mass
- 308.15968852
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl-
- IUPAC
- 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
40171-75-3BRN 11616051H-Purine-2,6-dione, 3,7-dihydro-8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,3-dimethyl-DTXSID10193179N(sup 1)-(Theophyllinyl-8)-N(sup 4)-beta-hydroxyethylpiperazineN(sup 1)-(8-Teofillina)-N(sup 4)-beta-idrossietilpiperazina [Italian]1h-purine-2,6-dione, 3,7-dihydro-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-N(sup 1)-(8-Teofillina)-N(sup 4)-beta-idrossietilpiperazinaRefChem:239651DTXCID701156708-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneBAS 05968851
Show more names
Oprea1_138550SCHEMBL15749752STK868409AKOS000723664CCG-149451NCGC00296400-01ST50296808AB01291829-01
Database identifiers
- CAS
40171-75-3- PubChem CID
- 218073
- DTXSID
DTXSID10193179
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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