Basic information
- Standard SMILES
COc1c(C)cnc(Cn2cc(C#CCCOP(=O)(OC(C)(C)C)OC(C)(C)C)c3c(Cl)nc(N)nc32)c1C- InChIKey
TWGLSNAZGBUOHD-UHFFFAOYSA-N- Molecular formula
- C27H37ClN5O5P
- Average molar mass
- 578 g/mol
- Monoisotopic mass
- 577.222084
Names & identifiers
- Preferred name
- 4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl di-tert-butyl phosphate
- IUPAC
- 4-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]but-3-ynyl ditert-butyl phosphate
Names & synonyms
SCHEMBL313610TWGLSNAZGBUOHD-UHFFFAOYSA-N4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl di-tert-butyl phosphate
Database identifiers
- PubChem CID
- 57713854
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 911
Related reactions
4 records
Compound notes
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