6-Chloro-1-methyl-n-(prop-2-en-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
5463-94-5- Standard SMILES
C=CCNc1nc(Cl)nc2c1cnn2C- InChIKey
ZKHIACFLMGTFTF-UHFFFAOYSA-N- Molecular formula
- C9H10ClN5
- Average molar mass
- 223.66 g/mol
- Monoisotopic mass
- 223.062473
Names & identifiers
- Preferred name
- 6-Chloro-1-methyl-n-(prop-2-en-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-chloro-1-methyl-N-prop-2-enylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
5463-94-5NSC190916-chloro-1-methyl-n-(prop-2-en-1-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amineDTXSID20969908NSC-19091
Database identifiers
- CAS
5463-94-5- PubChem CID
- 227489
- DTXSID
DTXSID20969908
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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