1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Basic information
- CAS
376378-00-6- Standard SMILES
C=C(C)Cn1c(N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
RPEHFRKRLKPJSQ-UHFFFAOYSA-N- Molecular formula
- C15H21N5O2
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.16952493
Names & identifiers
- Preferred name
- 1,3-Dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione
- IUPAC
- 1,3-dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione
- English name
- 1,3-dimethyl-7-(2-methylallyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C15H21N5O2
- Molecular weight
- 303.36
Names & synonyms
376378-00-61,3-dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidin-1-ylpurine-2,6-dione1,3-Dimethyl-7-(2-methyl-allyl)-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione1,3-dimethyl-7-(2-methylallyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dioneOprea1_403492Oprea1_657489MLS001211455F0886-0051CHEMBL1716345DTXSID101320416HMS2819K24
Show more names
1,3-DI-ME-7-(2-ME-2-PROPENYL)-8-(1-PYRROLIDINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1,3-dimethyl-7-(2-methylallyl)-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-methyl-2-propen-1-yl)-8-(1-pyrrolidinyl)-
STL513245AKOS000721728SMR000518025ST50565840SR-01000481348SR-01000481348-1Z2238471121,3-dimethyl-7-(2-methylprop-2-enyl)-8-pyrrolidinyl-1,3,7-trihydropurine-2,6-d ione
Database identifiers
- CAS
376378-00-6- PubChem CID
- 719352
- DTXSID
DTXSID101320416- ChEMBL
CHEMBL1716345
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility33.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 487.7 · 487.7±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 2.33 · 2.33±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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