2-(2-aminopurin-9-yl)ethanol;ethane

C9H15N5O — CID 142975458

IUPAC2-(2-aminopurin-9-yl)ethanol;ethane
SMILESCC.Nc1ncc2ncn(CCO)c2n1
InChIInChI=1S/C7H9N5O.C2H6/c8-7-9-3-5-6(11-7)12(1-2-13)4-10-5;1-2/h3-4,13H,1-2H2,(H2,8,9,11);1-2H3
InChIKeyHVWUWJGKUWWPOY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.43
Rot. Bonds2

About 2-(2-aminopurin-9-yl)ethanol;ethane

2-(2-aminopurin-9-yl)ethanol;ethane (PubChem CID 142975458) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-aminopurin-9-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(2-aminopurin-9-yl)ethanol;ethane
PubChem CID142975458
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(2-aminopurin-9-yl)ethanol;ethane
SMILESCC.Nc1ncc2ncn(CCO)c2n1
InChIInChI=1S/C7H9N5O.C2H6/c8-7-9-3-5-6(11-7)12(1-2-13)4-10-5;1-2/h3-4,13H,1-2H2,(H2,8,9,11);1-2H3
InChIKeyHVWUWJGKUWWPOY-UHFFFAOYSA-N
XLogP0.43
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-propylpurin-2-amine
CID 58755499
ethane;9-methylpurin-2-amine
CID 143911812
triethyl 3-(2-aminopurin-9-yl)propane-1,1,1-tricarboxylate
CID 15277619
[4-(2-aminopurin-9-yl)-2-(hydroxymethyl)butyl] acetate
CID 10039252
9-[2-(methoxyphosphanylmethoxy)ethyl]purin-2-amine
CID 143852222
2-[2-(2-aminopurin-9-yl)-1,1,2,2-tetradeuterioethyl]propane-1,3-diol
CID 162641502
[4-(2-aminopurin-9-yl)-1-hydroxy-2-(hydroxymethyl)butyl] dihydrogen phosphate
CID 67947814
9-pentan-3-ylpurin-2-amine
CID 139448079
[2-(2-aminopurin-9-yl)-3-(hydroxymethyl)cyclopropyl]methanol
CID 57158718
[(2R)-2-[(2-aminopurin-9-yl)methyl]-4-hydroxybutyl] (2S)-2-amino-3-methylpentanoate
CID 66776165
9-ethenylpurin-2-amine
CID 22555835
methyl 2-(acetyloxymethyl)-3-(2-aminopurin-9-yl)propanoate
CID 169440387

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopurin-9-yl)ethanol;ethane?
The IUPAC name of 2-(2-aminopurin-9-yl)ethanol;ethane (CID 142975458) is 2-(2-aminopurin-9-yl)ethanol;ethane.
What is the SMILES notation for 2-(2-aminopurin-9-yl)ethanol;ethane?
The canonical SMILES for 2-(2-aminopurin-9-yl)ethanol;ethane is CC.Nc1ncc2ncn(CCO)c2n1.
What is the InChIKey of 2-(2-aminopurin-9-yl)ethanol;ethane?
The InChIKey is HVWUWJGKUWWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.C2H6/c8-7-9-3-5-6(11-7)12(1-2-13)4-10-5;1-2/h3-4,13H,1-2H2,(H2,8,9,11);1-2H3.
What are the key properties of 2-(2-aminopurin-9-yl)ethanol;ethane?
2-(2-aminopurin-9-yl)ethanol;ethane has a molecular weight of 209.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopurin-9-yl)ethanol;ethane is sourced from PubChem (CID 142975458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).