2-(2-amino-6,8-dichloropurin-9-yl)ethanol

C7H7Cl2N5O — CID 142671065

IUPAC2-(2-amino-6,8-dichloropurin-9-yl)ethanol
SMILESNc1nc(Cl)c2nc(Cl)n(CCO)c2n1
InChIInChI=1S/C7H7Cl2N5O/c8-4-3-5(13-7(10)12-4)14(1-2-15)6(9)11-3/h15H,1-2H2,(H2,10,12,13)
InChIKeyOHDACZHEBQKRPY-UHFFFAOYSA-N
MW248.07 g/mol
LogP0.71
Rot. Bonds2

About 2-(2-amino-6,8-dichloropurin-9-yl)ethanol

2-(2-amino-6,8-dichloropurin-9-yl)ethanol (PubChem CID 142671065) has the molecular formula C7H7Cl2N5O and a molecular weight of 248.07 g/mol. Its IUPAC name is 2-(2-amino-6,8-dichloropurin-9-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-6,8-dichloropurin-9-yl)ethanol
PubChem CID142671065
Molecular FormulaC7H7Cl2N5O
Molecular Weight248.07 g/mol
Exact Mass247.00
IUPAC Name2-(2-amino-6,8-dichloropurin-9-yl)ethanol
SMILESNc1nc(Cl)c2nc(Cl)n(CCO)c2n1
InChIInChI=1S/C7H7Cl2N5O/c8-4-3-5(13-7(10)12-4)14(1-2-15)6(9)11-3/h15H,1-2H2,(H2,10,12,13)
InChIKeyOHDACZHEBQKRPY-UHFFFAOYSA-N
XLogP0.71
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(acetyloxymethyl)-4-(2-amino-6,8-dichloropurin-9-yl)butyl] acetate
CID 11025564
2-amino-6-chloro-9-(2-hydroxyethyl)-7H-purin-8-one
CID 86696631
2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
CID 117264534
2-(2-amino-6-chloro-7,8-dihydropurin-9-yl)ethanol
CID 141333237
[2-(acetyloxymethyl)-3-(2-amino-6,8-dichloropurin-9-yl)cyclobutyl]methyl acetate
CID 87389403
(1S,2R,3S,5S)-3-(5-amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 131879875
2-[2-(2-amino-6-chloropurin-9-yl)ethyl](114C)propane-1,3-diol
CID 10516417
[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
CID 174758303
6-chloro-9-pentylpurin-2-amine
CID 139201177
8-chloro-1-(2-hydroxyethyl)-3,7-dimethylpurine-2,6-dione
CID 3048476
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
2-chloro-5-fluoro-3-(2-hydroxyethyl)quinazolin-4-one
CID 117263425

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6,8-dichloropurin-9-yl)ethanol?
The IUPAC name of 2-(2-amino-6,8-dichloropurin-9-yl)ethanol (CID 142671065) is 2-(2-amino-6,8-dichloropurin-9-yl)ethanol.
What is the SMILES notation for 2-(2-amino-6,8-dichloropurin-9-yl)ethanol?
The canonical SMILES for 2-(2-amino-6,8-dichloropurin-9-yl)ethanol is Nc1nc(Cl)c2nc(Cl)n(CCO)c2n1.
What is the InChIKey of 2-(2-amino-6,8-dichloropurin-9-yl)ethanol?
The InChIKey is OHDACZHEBQKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N5O/c8-4-3-5(13-7(10)12-4)14(1-2-15)6(9)11-3/h15H,1-2H2,(H2,10,12,13).
What are the key properties of 2-(2-amino-6,8-dichloropurin-9-yl)ethanol?
2-(2-amino-6,8-dichloropurin-9-yl)ethanol has a molecular weight of 248.07 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6,8-dichloropurin-9-yl)ethanol is sourced from PubChem (CID 142671065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).