2-[(7-Benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
Basic information
- CAS
903199-73-5- Standard SMILES
Cc1c(C)n(Cc2ccccc2)c2ncnc(NCCO)c12- InChIKey
QTKDTABBCBSNCC-UHFFFAOYSA-N- Molecular formula
- C17H20N4O
- Average molar mass
- 296.37 g/mol
- Monoisotopic mass
- 296.16371127
Names & identifiers
- Preferred name
- 2-[(7-Benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
- IUPAC
- 2-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol
Names & synonyms
903199-73-52-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol2-[(7-Benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol2-[(7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethanol2-((7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)ethanolMLS001216053CHEMBL1900983DTXSID201333533HMS2855C11STK607749AKOS005543314SMR000544569
Database identifiers
- CAS
903199-73-5- PubChem CID
- 8030482
- DTXSID
DTXSID201333533- ChEMBL
CHEMBL1900983
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility41.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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