Basic information
- Standard SMILES
Cc1cc(COC2CCCCO2)n(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)n1- InChIKey
BEHRCZDYHODBOZ-UHFFFAOYSA-N- Molecular formula
- C22H24ClN7O2
- Average molar mass
- 453.9 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-phenyl)-{9-methyl-2-[3-methyl-5-(tetrahydro-pyran-2-yloxymethyl)pyrazol-1-yl]-9H-purin-6-yl}-amine
- IUPAC
- N-(4-chlorophenyl)-9-methyl-2-[3-methyl-5-(oxan-2-yloxymethyl)pyrazol-1-yl]purin-6-amine
Names & synonyms
SCHEMBL183695BEHRCZDYHODBOZ-UHFFFAOYSA-N(4-chloro-phenyl)-{9-methyl-2-[3-methyl-5-(tetrahydro-pyran-2-yloxymethyl)-pyrazol-1-yl]-9H-purin-6-yl}-amine(4-Chloro-phenyl)-{9-methyl-2-[3-methyl-5-(tetrahydro-pyran-2-yloxymethyl)pyrazol-1-yl]-9H-purin-6-yl}-amine
Database identifiers
- PubChem CID
- 59322258
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 611
Related reactions
5 records
Compound notes
Loading…