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

C7H9N5O — CID 20684

IUPAC2-(7H-purin-6-ylamino)ethanol
SMILESOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)
InChIKeyQFSMBOBIZVSDLV-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.24
Rot. Bonds3

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

2-(7H-purin-6-ylamino)ethanol (PubChem CID 20684) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)ethanol.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)ethanol
PubChem CID20684
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-(7H-purin-6-ylamino)ethanol
SMILESOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12)
InChIKeyQFSMBOBIZVSDLV-UHFFFAOYSA-N
XLogP-0.24
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Adenine
CID 190
Zeatin
CID 449093
2,6-Diaminopurine
CID 30976
Isopentenyladenine
CID 92180
Nb-001
CID 2815031
6-Hydroxyaminopurine
CID 21876
Cis-Zeatin
CID 688597
6-Dimethylaminopurine
CID 3134
2-Fluoroadenine
CID 12790
N6-Methyladenine
CID 67955
6-Morpholin-4-YL-9H-purine
CID 76098
Adenine hydrochloride
CID 76219

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)ethanol?
The IUPAC name of 2-(7H-purin-6-ylamino)ethanol (CID 20684) is 2-(7H-purin-6-ylamino)ethanol.
What is the SMILES notation for 2-(7H-purin-6-ylamino)ethanol?
The canonical SMILES for 2-(7H-purin-6-ylamino)ethanol is OCCNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylamino)ethanol?
The InChIKey is QFSMBOBIZVSDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c13-2-1-8-6-5-7(10-3-9-5)12-4-11-6/h3-4,13H,1-2H2,(H2,8,9,10,11,12).
What are the key properties of 2-(7H-purin-6-ylamino)ethanol?
2-(7H-purin-6-ylamino)ethanol has a molecular weight of 179.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)ethanol is sourced from PubChem (CID 20684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).