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

C13H11BrFN5O — CID 114788114

IUPAC6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C13H11BrFN5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyCDCATYJDBCCJOZ-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.48
Rot. Bonds4

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

6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine (PubChem CID 114788114) has the molecular formula C13H11BrFN5O and a molecular weight of 352.17 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
PubChem CID114788114
Molecular FormulaC13H11BrFN5O
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
SMILESCCNc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1
InChIInChI=1S/C13H11BrFN5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H2,16,17,18,19,20)
InChIKeyCDCATYJDBCCJOZ-UHFFFAOYSA-N
XLogP3.48
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.48
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-(3,4-difluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114787415
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
N-ethyl-6-(4-fluoro-2-methylphenoxy)-7H-purin-2-amine
CID 114787967
N-ethyl-6-(3-fluorophenoxy)-7H-purin-2-amine
CID 114787286
6-(5-bromo-2,3-difluorophenoxy)-N-methyl-7H-purin-2-amine
CID 107102588
N-ethyl-6-[(6-methyl-3-pyridinyl)oxy]-7H-purin-2-amine
CID 114787606
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
6-(4-bromo-3-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787796

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine (CID 114788114) is 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine is CCNc1nc(Oc2cc(Br)ccc2F)c2[nH]cnc2n1.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine?
The InChIKey is CDCATYJDBCCJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN5O/c1-2-16-13-19-11-10(17-6-18-11)12(20-13)21-9-5-7(14)3-4-8(9)15/h3-6H,2H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine?
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine has a molecular weight of 352.17 g/mol, XLogP of 3.48, 4 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)-N-ethyl-7H-purin-2-amine is sourced from PubChem (CID 114788114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).