1-(6-aminopurin-7-yl)ethanol

C7H9N5O — CID 69202228

IUPAC1-(6-aminopurin-7-yl)ethanol
SMILESCC(O)n1cnc2ncnc(N)c21
InChIInChI=1S/C7H9N5O/c1-4(13)12-3-11-7-5(12)6(8)9-2-10-7/h2-4,13H,1H3,(H2,8,9,10)
InChIKeyUXRMPUXUHGYPFX-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.08
Rot. Bonds1

About 1-(6-aminopurin-7-yl)ethanol

1-(6-aminopurin-7-yl)ethanol (PubChem CID 69202228) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(6-aminopurin-7-yl)ethanol.

Molecular Properties

Compound Name1-(6-aminopurin-7-yl)ethanol
PubChem CID69202228
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name1-(6-aminopurin-7-yl)ethanol
SMILESCC(O)n1cnc2ncnc(N)c21
InChIInChI=1S/C7H9N5O/c1-4(13)12-3-11-7-5(12)6(8)9-2-10-7/h2-4,13H,1H3,(H2,8,9,10)
InChIKeyUXRMPUXUHGYPFX-UHFFFAOYSA-N
XLogP-0.08
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-7-yl)ethanol?
The IUPAC name of 1-(6-aminopurin-7-yl)ethanol (CID 69202228) is 1-(6-aminopurin-7-yl)ethanol.
What is the SMILES notation for 1-(6-aminopurin-7-yl)ethanol?
The canonical SMILES for 1-(6-aminopurin-7-yl)ethanol is CC(O)n1cnc2ncnc(N)c21.
What is the InChIKey of 1-(6-aminopurin-7-yl)ethanol?
The InChIKey is UXRMPUXUHGYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4(13)12-3-11-7-5(12)6(8)9-2-10-7/h2-4,13H,1H3,(H2,8,9,10).
What are the key properties of 1-(6-aminopurin-7-yl)ethanol?
1-(6-aminopurin-7-yl)ethanol has a molecular weight of 179.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-7-yl)ethanol is sourced from PubChem (CID 69202228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).