N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
6289-10-7- Standard SMILES
Cc1ccc(Nc2ncnc3c2cnn3C)c(C)c1- InChIKey
MLFYHTPQBJNHKT-UHFFFAOYSA-N- Molecular formula
- C14H15N5
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.1327455
Overview
N-(2,4-dimethylphenyl)-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine is a pyrazolopyrimidine.
Names & identifiers
- Preferred name
- N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine6289-10-7N-(2,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amineNSC11645MLS001204051CHEMBL1723776DTXSID10279200CHEBI:116811HMS2849G16HMS3535B19NSC-11645STK893152
Show more names
(2,4-Dimethyl-phenyl)-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amineAKOS000663093CCG-199519SMR000517532ST45368748ST50012497ST50030384SR-01000366811
Database identifiers
- CAS
6289-10-7- PubChem CID
- 223735
- DTXSID
DTXSID10279200- ChEMBL
CHEMBL1723776- ChEBI
CHEBI:116811
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Solubility34.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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