2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide

C7H11BrN6O — CID 75485495

IUPAC2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide
SMILESBr.Nc1ncnc2nc(NCCO)[nH]c12
InChIInChI=1S/C7H10N6O.BrH/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14;/h3,14H,1-2H2,(H4,8,9,10,11,12,13);1H
InChIKeyYTUYSZRATCETLB-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide

2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide (PubChem CID 75485495) has the molecular formula C7H11BrN6O and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide
PubChem CID75485495
Molecular FormulaC7H11BrN6O
Molecular Weight275.11 g/mol
Exact Mass274.02
IUPAC Name2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide
SMILESBr.Nc1ncnc2nc(NCCO)[nH]c12
InChIInChI=1S/C7H10N6O.BrH/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14;/h3,14H,1-2H2,(H4,8,9,10,11,12,13);1H
InChIKeyYTUYSZRATCETLB-UHFFFAOYSA-N
XLogP-0.08
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide?
The IUPAC name of 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide (CID 75485495) is 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide.
What is the SMILES notation for 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide?
The canonical SMILES for 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide is Br.Nc1ncnc2nc(NCCO)[nH]c12.
What is the InChIKey of 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide?
The InChIKey is YTUYSZRATCETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O.BrH/c8-5-4-6(11-3-10-5)13-7(12-4)9-1-2-14;/h3,14H,1-2H2,(H4,8,9,10,11,12,13);1H.
What are the key properties of 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide?
2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide has a molecular weight of 275.11 g/mol, XLogP of -0.08, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-8-yl)amino]ethanol;hydrobromide is sourced from PubChem (CID 75485495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).