Basic information
- CAS
1003298-80-3- Standard SMILES
Cn1nc(Br)c2c(Cl)nc(N)nc21- InChIKey
QDZRVQJWZZXWFZ-UHFFFAOYSA-N- Molecular formula
- C6H5BrClN5
- Average molar mass
- 262.49 g/mol
- Monoisotopic mass
- 260.94168494
Names & identifiers
- Preferred name
- 3-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
- IUPAC
- 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
- English name
- 3-broMo-4-chloro-1-Methyl-1H-pyrazolo[3,4-d]pyriMidin-6-aMine
- Molecular formula
- C6H5BrClN5
- Molecular weight
- 262.49
Names & synonyms
3-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine1003298-80-33-BROMO-4-CHLORO-1-METHYLPYRAZOLO[3,4-D]PYRIMIDIN-6-AMINESCHEMBL4230917QDZRVQJWZZXWFZ-UHFFFAOYSA-NDTXSID9011802063-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine3-Bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-ylamine3-broMo-4-chloro-1-Methyl-1H-pyrazolo[31H-Pyrazolo[3,4-d]pyrimidin-6-amine, 3-bromo-4-chloro-1-methyl-
Database identifiers
- CAS
1003298-80-3- PubChem CID
- 71307751
- DTXSID
DTXSID901180206
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
3 records
Compound notes
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