Ethanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-

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Basic information

CAS: 115093-89-5
Standard SMILES: Nc1ncnc2c1c(I)cn2COCCO
InChIKey: KLEDQGQAJWEOCN-UHFFFAOYSA-N
Molecular formula: C9H11IN4O2
Average molar mass: 334.11 g/mol
Monoisotopic mass: 333.99267

Names & identifiers

Preferred name: Ethanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-
IUPAC: 2-[(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol

Names & synonyms

115093-89-52-((4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol5-Iodo acyclic tubercidinEthanol, 2-[(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]-CHEMBL63224SCHEMBL8441851DTXSID50332429KLEDQGQAJWEOCN-UHFFFAOYSA-N2-[(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol4-Amino-5-iodo-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d] pyrimidine4-Amino-5-iodo-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]-pyrimidine2-[(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethan-1-ol

Show more names

4-Amino-5-iodo-7- (2-hydroxyethoxymethyl)pyrrolo[2,3-d]-pyrimidine4-Amino-5-iodo-7-[(2-hydroxyethoxy)methyl]pyrrolo[2,3-d]pyrimidine

Database identifiers

CAS: 115093-89-5
PubChem CID: 456429
DTXSID: DTXSID50332429
ChEMBL: CHEMBL63224

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 234

Related reactions

4 records

New reaction record

HRID 442564As productuspto-grants-1999_04

HRID 1073103As productuspto-grants-1990_11

HRID 1651084As productuspto-grants-1990_05

HRID 2160904As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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