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

C9H13N5O2 — CID 522083

IUPAC2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2/c15-3-1-14(2-4-16)9-7-8(11-5-10-7)12-6-13-9/h5-6,15-16H,1-4H2,(H,10,11,12,13)
InChIKeyHDFTZBLKBXGFGD-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.86
Rot. Bonds5

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

2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol (PubChem CID 522083) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol
PubChem CID522083
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O2/c15-3-1-14(2-4-16)9-7-8(11-5-10-7)12-6-13-9/h5-6,15-16H,1-4H2,(H,10,11,12,13)
InChIKeyHDFTZBLKBXGFGD-UHFFFAOYSA-N
XLogP-0.86
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol (CID 522083) is 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol is OCCN(CCO)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol?
The InChIKey is HDFTZBLKBXGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-3-1-14(2-4-16)9-7-8(11-5-10-7)12-6-13-9/h5-6,15-16H,1-4H2,(H,10,11,12,13).
What are the key properties of 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol?
2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol has a molecular weight of 223.24 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol is sourced from PubChem (CID 522083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).