6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine

C11H7BrFN5O — CID 114788110

IUPAC6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
SMILESNc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C11H7BrFN5O/c12-5-1-2-6(13)7(3-5)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyOVWRHWLZTNRFKU-UHFFFAOYSA-N
MW324.11 g/mol
LogP2.63
Rot. Bonds2

About 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine

6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine (PubChem CID 114788110) has the molecular formula C11H7BrFN5O and a molecular weight of 324.11 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
PubChem CID114788110
Molecular FormulaC11H7BrFN5O
Molecular Weight324.11 g/mol
Exact Mass322.98
IUPAC Name6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
SMILESNc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C11H7BrFN5O/c12-5-1-2-6(13)7(3-5)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18)
InChIKeyOVWRHWLZTNRFKU-UHFFFAOYSA-N
XLogP2.63
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114788112
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
6-(4-bromo-2-nitrophenoxy)-7H-purin-2-amine
CID 114787746
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
6-(5-bromo-2,3-difluorophenoxy)-N-methyl-7H-purin-2-amine
CID 107102588
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
6-(1,1,1-trifluoropropan-2-yloxy)-7H-purin-2-amine
CID 114787836
6-(2-methyl-4-nitrophenoxy)-7H-purin-2-amine
CID 114788030
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine (CID 114788110) is 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine is Nc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine?
The InChIKey is OVWRHWLZTNRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN5O/c12-5-1-2-6(13)7(3-5)19-10-8-9(16-4-15-8)17-11(14)18-10/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine?
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine has a molecular weight of 324.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine is sourced from PubChem (CID 114788110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).