2-(6-amino-8-bromopurin-9-yl)ethanol

C7H8BrN5O — CID 44572469

IUPAC2-(6-amino-8-bromopurin-9-yl)ethanol
SMILESNc1ncnc2c1nc(Br)n2CCO
InChIInChI=1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11)
InChIKeyHPCQLQBYCLLETI-UHFFFAOYSA-N
MW258.08 g/mol
LogP0.16
Rot. Bonds2

About 2-(6-amino-8-bromopurin-9-yl)ethanol

2-(6-amino-8-bromopurin-9-yl)ethanol (PubChem CID 44572469) has the molecular formula C7H8BrN5O and a molecular weight of 258.08 g/mol. Its IUPAC name is 2-(6-amino-8-bromopurin-9-yl)ethanol.

Molecular Properties

Compound Name2-(6-amino-8-bromopurin-9-yl)ethanol
PubChem CID44572469
Molecular FormulaC7H8BrN5O
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC Name2-(6-amino-8-bromopurin-9-yl)ethanol
SMILESNc1ncnc2c1nc(Br)n2CCO
InChIInChI=1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11)
InChIKeyHPCQLQBYCLLETI-UHFFFAOYSA-N
XLogP0.16
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-amino-8-bromopurin-9-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-8-bromopurin-9-yl)ethanol?
The IUPAC name of 2-(6-amino-8-bromopurin-9-yl)ethanol (CID 44572469) is 2-(6-amino-8-bromopurin-9-yl)ethanol.
What is the SMILES notation for 2-(6-amino-8-bromopurin-9-yl)ethanol?
The canonical SMILES for 2-(6-amino-8-bromopurin-9-yl)ethanol is Nc1ncnc2c1nc(Br)n2CCO.
What is the InChIKey of 2-(6-amino-8-bromopurin-9-yl)ethanol?
The InChIKey is HPCQLQBYCLLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11).
What are the key properties of 2-(6-amino-8-bromopurin-9-yl)ethanol?
2-(6-amino-8-bromopurin-9-yl)ethanol has a molecular weight of 258.08 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-8-bromopurin-9-yl)ethanol is sourced from PubChem (CID 44572469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).