8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine

C11H7BrClN5 — CID 114608330

IUPAC8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cccc(Br)c3Cl)[nH]c12
InChIInChI=1S/C11H7BrClN5/c12-6-3-1-2-5(7(6)13)10-17-8-9(14)15-4-16-11(8)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyKOKLYXLCXHXLSC-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.02
Rot. Bonds1

About 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine

8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine (PubChem CID 114608330) has the molecular formula C11H7BrClN5 and a molecular weight of 324.57 g/mol. Its IUPAC name is 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
PubChem CID114608330
Molecular FormulaC11H7BrClN5
Molecular Weight324.57 g/mol
Exact Mass322.96
IUPAC Name8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cccc(Br)c3Cl)[nH]c12
InChIInChI=1S/C11H7BrClN5/c12-6-3-1-2-5(7(6)13)10-17-8-9(14)15-4-16-11(8)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyKOKLYXLCXHXLSC-UHFFFAOYSA-N
XLogP3.02
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(2-amino-5-chlorophenyl)-7H-purin-6-amine
CID 114607883
8-(5-amino-2-chlorophenyl)-7H-purin-6-amine
CID 114607833
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608201
8-[2-fluoro-3-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608409
8-pyren-1-yl-7H-purin-6-amine
CID 16732486
8-[2-bromo-5-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 114608257
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421
8-(5-chlorofuran-2-yl)-7H-purin-6-amine
CID 106688338

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine?
The IUPAC name of 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine (CID 114608330) is 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine?
The canonical SMILES for 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine is Nc1ncnc2nc(-c3cccc(Br)c3Cl)[nH]c12.
What is the InChIKey of 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine?
The InChIKey is KOKLYXLCXHXLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN5/c12-6-3-1-2-5(7(6)13)10-17-8-9(14)15-4-16-11(8)18-10/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine?
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine has a molecular weight of 324.57 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine is sourced from PubChem (CID 114608330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).