1-(7H-purin-6-yl)ethanol

C7H8N4O — CID 18670461

IUPAC1-(7H-purin-6-yl)ethanol
SMILESCC(O)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N4O/c1-4(12)5-6-7(10-2-8-5)11-3-9-6/h2-4,12H,1H3,(H,8,9,10,11)
InChIKeyIHWHNEYSRQOARC-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.41
Rot. Bonds1

About 1-(7H-purin-6-yl)ethanol

1-(7H-purin-6-yl)ethanol (PubChem CID 18670461) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(7H-purin-6-yl)ethanol.

Molecular Properties

Compound Name1-(7H-purin-6-yl)ethanol
PubChem CID18670461
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-(7H-purin-6-yl)ethanol
SMILESCC(O)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H8N4O/c1-4(12)5-6-7(10-2-8-5)11-3-9-6/h2-4,12H,1H3,(H,8,9,10,11)
InChIKeyIHWHNEYSRQOARC-UHFFFAOYSA-N
XLogP0.41
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;6-propan-2-yl-7H-purine
CID 171499387
1-(7H-purin-6-yl)propane-1,2,3-triol
CID 170818005
1-(7H-purin-6-yl)propan-2-ol
CID 174759958
(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
methanol;7H-purin-6-amine
CID 67194832
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 7644851
6-chloro-7H-purine
CID 5359277
6-chloro-7H-purine
CID 53349102

Frequently Asked Questions

What is the IUPAC name of 1-(7H-purin-6-yl)ethanol?
The IUPAC name of 1-(7H-purin-6-yl)ethanol (CID 18670461) is 1-(7H-purin-6-yl)ethanol.
What is the SMILES notation for 1-(7H-purin-6-yl)ethanol?
The canonical SMILES for 1-(7H-purin-6-yl)ethanol is CC(O)c1ncnc2nc[nH]c12.
What is the InChIKey of 1-(7H-purin-6-yl)ethanol?
The InChIKey is IHWHNEYSRQOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4(12)5-6-7(10-2-8-5)11-3-9-6/h2-4,12H,1H3,(H,8,9,10,11).
What are the key properties of 1-(7H-purin-6-yl)ethanol?
1-(7H-purin-6-yl)ethanol has a molecular weight of 164.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-purin-6-yl)ethanol is sourced from PubChem (CID 18670461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).