Basic information
- Standard SMILES
CC(C)(C)Cn1c(COc2ccc(Cl)nc2)cc2cnc(C#N)nc21- InChIKey
KRXIONWULNSNIA-UHFFFAOYSA-N- Molecular formula
- C18H18ClN5O
- Average molar mass
- 355.8 g/mol
Names & identifiers
- Preferred name
- 6-(6-Chloro-pyridin-3-yloxymethyl)-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- IUPAC
- 6-[(6-chloro-3-pyridinyl)oxymethyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Names & synonyms
SCHEMBL4146198KRXIONWULNSNIA-UHFFFAOYSA-N6-(6-Chloro-pyridin-3-yloxymethyl)-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Database identifiers
- PubChem CID
- 10108901
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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