4-(Furfurylamino)-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
Basic information
- CAS
5334-58-7- Standard SMILES
Cn1ncc2c(NCc3ccco3)ncnc21- InChIKey
SLSBIKJXTHGILH-UHFFFAOYSA-N- Molecular formula
- C11H11N5O
- Average molar mass
- 229.24 g/mol
- Monoisotopic mass
- 229.09635999
Names & identifiers
- Preferred name
- 4-(Furfurylamino)-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
- IUPAC
- N-(furan-2-ylmethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
N-(furan-2-ylmethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC1441CHEMBL1892465SCHEMBL179338144-(FURFURYLAMINO)-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINENSC-1441STK864585AKOS002103197CCG-199491NCGC00168672-01SR-01000017267SR-01000017267-1
Show more names
pyrazolo[3,4-d]pyrimidine, 4-furfurylamino-1-methyl-
Database identifiers
- CAS
5334-58-7- PubChem CID
- 219768
- ChEMBL
CHEMBL1892465
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
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Compound notes
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