Basic information
- Standard SMILES
C=CC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12- InChIKey
CIKUXUSRMHQECF-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5O
- Average molar mass
- 367.8 g/mol
Names & identifiers
- Preferred name
- 5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine
- IUPAC
- 5-but-3-en-1-ynyl-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL312275CIKUXUSRMHQECF-UHFFFAOYSA-N5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo [2,3-d]pyrimidin-2-amine5-(but-3-en-1-ynyl)-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 57713813
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Related reactions
7 records
Compound notes
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