6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine

C11H9BrFN3OS — CID 81325950

IUPAC6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H9BrFN3OS/c1-18-11-15-9(14)5-10(16-11)17-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16)
InChIKeyQUAQTHXFKSLJJL-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.47
Rot. Bonds3

About 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine

6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 81325950) has the molecular formula C11H9BrFN3OS and a molecular weight of 330.18 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID81325950
Molecular FormulaC11H9BrFN3OS
Molecular Weight330.18 g/mol
Exact Mass328.96
IUPAC Name6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H9BrFN3OS/c1-18-11-15-9(14)5-10(16-11)17-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16)
InChIKeyQUAQTHXFKSLJJL-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 81325647
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80862473
6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
CID 80880795
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
CID 81332258
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
CID 81332174
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360
6-(4-bromo-2-nitrophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80877132
6-(3-bromo-5-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774691
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
6-(3-bromo-5-fluorophenoxy)-3-nitropyridin-2-amine
CID 81331466

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine (CID 81325950) is 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is QUAQTHXFKSLJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3OS/c1-18-11-15-9(14)5-10(16-11)17-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine?
6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 330.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 81325950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).