Ethanol, 2-[(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
Basic information
- CAS
115093-87-3- Standard SMILES
Nc1ncnc2c1c(Cl)cn2COCCO- InChIKey
LOXAXVNOMXXLCJ-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O2
- Average molar mass
- 242.66 g/mol
- Monoisotopic mass
- 242.0570533
Names & identifiers
- Preferred name
- Ethanol, 2-[(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
- IUPAC
- 2-[(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Names & synonyms
115093-87-32-((4-Amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol5-Chloro acyclic tubercidinEthanol, 2-[(4-amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-CHEMBL63282SCHEMBL8444992DTXSID90332428LOXAXVNOMXXLCJ-UHFFFAOYSA-N2-[(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol2-[(4-Amino-5-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethan-1-ol4-Amino-5-chloro-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d] pyrimidine4-Amino-5-chloro-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]-pyrimidine
Show more names
4-Amino-5-chloro-7-[(2-hydroxyethoxy)methyl]pyrrolo[2,3-d]pyrimidine
Database identifiers
- CAS
115093-87-3- PubChem CID
- 456428
- DTXSID
DTXSID90332428- ChEMBL
CHEMBL63282
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
3 records
Compound notes
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