2-(6-amino-7H-purin-8-yl)-5-bromophenol

C11H8BrN5O — CID 137003589

IUPAC2-(6-amino-7H-purin-8-yl)-5-bromophenol
SMILESNc1ncnc2nc(-c3ccc(Br)cc3O)[nH]c12
InChIInChI=1S/C11H8BrN5O/c12-5-1-2-6(7(18)3-5)10-16-8-9(13)14-4-15-11(8)17-10/h1-4,18H,(H3,13,14,15,16,17)
InChIKeyMEXWFLMOFPYELV-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.07
Rot. Bonds1

About 2-(6-amino-7H-purin-8-yl)-5-bromophenol

2-(6-amino-7H-purin-8-yl)-5-bromophenol (PubChem CID 137003589) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-(6-amino-7H-purin-8-yl)-5-bromophenol.

Molecular Properties

Compound Name2-(6-amino-7H-purin-8-yl)-5-bromophenol
PubChem CID137003589
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name2-(6-amino-7H-purin-8-yl)-5-bromophenol
SMILESNc1ncnc2nc(-c3ccc(Br)cc3O)[nH]c12
InChIInChI=1S/C11H8BrN5O/c12-5-1-2-6(7(18)3-5)10-16-8-9(13)14-4-15-11(8)17-10/h1-4,18H,(H3,13,14,15,16,17)
InChIKeyMEXWFLMOFPYELV-UHFFFAOYSA-N
XLogP2.07
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
8-[2-bromo-5-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608257
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-(4-amino-3-methylphenyl)-7H-purin-6-amine
CID 114608073
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-7H-purin-8-yl)-5-bromophenol?
The IUPAC name of 2-(6-amino-7H-purin-8-yl)-5-bromophenol (CID 137003589) is 2-(6-amino-7H-purin-8-yl)-5-bromophenol.
What is the SMILES notation for 2-(6-amino-7H-purin-8-yl)-5-bromophenol?
The canonical SMILES for 2-(6-amino-7H-purin-8-yl)-5-bromophenol is Nc1ncnc2nc(-c3ccc(Br)cc3O)[nH]c12.
What is the InChIKey of 2-(6-amino-7H-purin-8-yl)-5-bromophenol?
The InChIKey is MEXWFLMOFPYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-5-1-2-6(7(18)3-5)10-16-8-9(13)14-4-15-11(8)17-10/h1-4,18H,(H3,13,14,15,16,17).
What are the key properties of 2-(6-amino-7H-purin-8-yl)-5-bromophenol?
2-(6-amino-7H-purin-8-yl)-5-bromophenol has a molecular weight of 306.12 g/mol, XLogP of 2.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-7H-purin-8-yl)-5-bromophenol is sourced from PubChem (CID 137003589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).