7-(Benzylamino)-3-methylpyrazolo(4,3-d)pyrimidine
Basic information
- CAS
73376-45-1- Standard SMILES
Cc1[nH]nc2c(NCc3ccccc3)ncnc12- InChIKey
CHNKRFXXARCZRN-UHFFFAOYSA-N- Molecular formula
- C13H13N5
- Average molar mass
- 239.28 g/mol
- Monoisotopic mass
- 239.11709544
Names & identifiers
- Preferred name
- 7-(Benzylamino)-3-methylpyrazolo(4,3-d)pyrimidine
- IUPAC
- N-benzyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Names & synonyms
73376-45-1NSC49477-(benzylamino)-3-methylpyrazolo(4,3-d)pyrimidineCHEMBL4207396NSC-4947pyrazolo[4,3-d]pyrimidine, 7-benzylamino-3-methyl-
Database identifiers
- CAS
73376-45-1- PubChem CID
- 221104
- ChEMBL
CHEMBL4207396
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
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