2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol

C9H11IN4O3 — CID 3011674

IUPAC2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol
SMILESCOc1nc(I)nc2c1ncn2COCCO
InChIInChI=1S/C9H11IN4O3/c1-16-8-6-7(12-9(10)13-8)14(4-11-6)5-17-3-2-15/h4,15H,2-3,5H2,1H3
InChIKeyDJEBOLCBNYGRJE-UHFFFAOYSA-N
MW350.12 g/mol
LogP0.41
Rot. Bonds5

About 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol

2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol (PubChem CID 3011674) has the molecular formula C9H11IN4O3 and a molecular weight of 350.12 g/mol. Its IUPAC name is 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol
PubChem CID3011674
Molecular FormulaC9H11IN4O3
Molecular Weight350.12 g/mol
Exact Mass349.99
IUPAC Name2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol
SMILESCOc1nc(I)nc2c1ncn2COCCO
InChIInChI=1S/C9H11IN4O3/c1-16-8-6-7(12-9(10)13-8)14(4-11-6)5-17-3-2-15/h4,15H,2-3,5H2,1H3
InChIKeyDJEBOLCBNYGRJE-UHFFFAOYSA-N
XLogP0.41
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-methylsulfanylpurin-9-yl)methoxy]ethanol
CID 14035870
2-[(2-amino-6-hydrazinylpurin-9-yl)methoxy]ethanol
CID 67801467
2-chloro-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
CID 135675129
[2-amino-9-(2-hydroxyethoxymethyl)-6-oxopurin-1-yl]phosphonic acid
CID 70980906
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;butanedioic acid
CID 135753375
tetralithium;2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;dioxido-oxo-(phosphonatomethyl)-λ5-phosphane
CID 173301328
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;prop-2-enoate
CID 135763277
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 155689585
N-trimethylsilyl-6-trimethylsilyloxy-9-(2-trimethylsilyloxyethoxymethyl)purin-2-amine
CID 91754053
3-(2-hydroxyethoxymethyl)-7-methyl-6-[4-(trifluoromethyl)phenyl]-5H-imidazo[1,2-a]purin-9-one
CID 5276654
2-[[6-amino-2-(2-bicyclo[2.2.1]heptanyl)purin-9-yl]methoxy]ethanol
CID 19417947

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol?
The IUPAC name of 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol (CID 3011674) is 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol.
What is the SMILES notation for 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol?
The canonical SMILES for 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol is COc1nc(I)nc2c1ncn2COCCO.
What is the InChIKey of 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol?
The InChIKey is DJEBOLCBNYGRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O3/c1-16-8-6-7(12-9(10)13-8)14(4-11-6)5-17-3-2-15/h4,15H,2-3,5H2,1H3.
What are the key properties of 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol?
2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol has a molecular weight of 350.12 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodo-6-methoxypurin-9-yl)methoxy]ethanol is sourced from PubChem (CID 3011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).