Basic information
- Standard SMILES
c1ccc(Cn2ccc3c(OC4CCCCC4)ncnc32)cc1- InChIKey
BKTPINBCXUXACV-UHFFFAOYSA-N- Molecular formula
- C19H21N3O
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 7-Benzyl-4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 7-benzyl-4-cyclohexyloxypyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL3536778BKTPINBCXUXACV-UHFFFAOYSA-N7-Benzyl-4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine7-Benzyl4-cyclohexyloxy-7H-pyrrolo[2,3-d]pyrimidine
Database identifiers
- PubChem CID
- 22484555
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
8 records
Compound notes
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