2-(7H-purin-6-yl)ethanol

C7H8N4O — CID 53402024

IUPAC2-(7H-purin-6-yl)ethanol
SMILESOCCc1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N4O/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKeyRJKTVTLFAQBPOJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.11
Rot. Bonds2

About 2-(7H-purin-6-yl)ethanol

2-(7H-purin-6-yl)ethanol (PubChem CID 53402024) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 2-(7H-purin-6-yl)ethanol.

Molecular Properties

Compound Name2-(7H-purin-6-yl)ethanol
PubChem CID53402024
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name2-(7H-purin-6-yl)ethanol
SMILESOCCc1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N4O/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11)
InChIKeyRJKTVTLFAQBPOJ-UHFFFAOYSA-N
XLogP-0.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tetradecyl-7H-purine
CID 101215358
2-amino-4-(7H-purin-6-yl)butanoic acid
CID 69404868
7H-purin-6-ylmethanesulfinic acid
CID 174680184
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
6-[3-(4-fluorophenyl)propyl]-7H-purine
CID 158547626
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
7H-purin-6-ylmethanesulfinate
CID 174680183
N-methyl-2-(7H-purin-6-yl)acetonitrilium
CID 68737634
(7H-purin-6-ylamino)methanol
CID 86209273
1-(7H-purin-6-yl)propane-1,2,3-triol
CID 170818005
6-chloro-7H-purine
CID 53349102

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-yl)ethanol?
The IUPAC name of 2-(7H-purin-6-yl)ethanol (CID 53402024) is 2-(7H-purin-6-yl)ethanol.
What is the SMILES notation for 2-(7H-purin-6-yl)ethanol?
The canonical SMILES for 2-(7H-purin-6-yl)ethanol is OCCc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-yl)ethanol?
The InChIKey is RJKTVTLFAQBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c12-2-1-5-6-7(10-3-8-5)11-4-9-6/h3-4,12H,1-2H2,(H,8,9,10,11).
What are the key properties of 2-(7H-purin-6-yl)ethanol?
2-(7H-purin-6-yl)ethanol has a molecular weight of 164.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-yl)ethanol is sourced from PubChem (CID 53402024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).