2-[methyl(7H-purin-6-yl)amino]ethanol

C8H11N5O — CID 4179438

IUPAC2-[methyl(7H-purin-6-yl)amino]ethanol
SMILESCN(CCO)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-13(2-3-14)8-6-7(10-4-9-6)11-5-12-8/h4-5,14H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyXJCMZTOWWCAPAV-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.22
Rot. Bonds3

About 2-[methyl(7H-purin-6-yl)amino]ethanol

2-[methyl(7H-purin-6-yl)amino]ethanol (PubChem CID 4179438) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]ethanol
PubChem CID4179438
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-[methyl(7H-purin-6-yl)amino]ethanol
SMILESCN(CCO)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-13(2-3-14)8-6-7(10-4-9-6)11-5-12-8/h4-5,14H,2-3H2,1H3,(H,9,10,11,12)
InChIKeyXJCMZTOWWCAPAV-UHFFFAOYSA-N
XLogP-0.22
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]ethanol?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]ethanol (CID 4179438) is 2-[methyl(7H-purin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]ethanol?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]ethanol is CN(CCO)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]ethanol?
The InChIKey is XJCMZTOWWCAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-13(2-3-14)8-6-7(10-4-9-6)11-5-12-8/h4-5,14H,2-3H2,1H3,(H,9,10,11,12).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]ethanol?
2-[methyl(7H-purin-6-yl)amino]ethanol has a molecular weight of 193.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]ethanol is sourced from PubChem (CID 4179438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).