Basic information
- Standard SMILES
CC(C)(C)Cn1c(Cn2ccnc2)cc2cnc(C#N)nc21- InChIKey
TWEMVYLZNFEDGK-UHFFFAOYSA-N- Molecular formula
- C16H18N6
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.1592946
Names & identifiers
- Preferred name
- 6-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- IUPAC
- 7-(2,2-dimethylpropyl)-6-(imidazol-1-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Names & synonyms
CHEMBL248539SCHEMBL4141224TWEMVYLZNFEDGK-UHFFFAOYSA-NBDBM502239186-((1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile7-(2,2-dimethyl-propyl)-6-imidazol-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Database identifiers
- PubChem CID
- 9943969
- ChEMBL
CHEMBL248539
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
1 records
Compound notes
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