6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine

C10H6BrClFN3O — CID 116797923

IUPAC6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H6BrClFN3O/c11-8-4-9(14)16-10(15-8)17-5-1-2-7(13)6(12)3-5/h1-4H,(H2,14,15,16)
InChIKeyQZQYJJXFIXTIPN-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.41
Rot. Bonds2

About 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine

6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine (PubChem CID 116797923) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
PubChem CID116797923
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H6BrClFN3O/c11-8-4-9(14)16-10(15-8)17-5-1-2-7(13)6(12)3-5/h1-4H,(H2,14,15,16)
InChIKeyQZQYJJXFIXTIPN-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747823
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
2-(3-chloro-4-fluorophenoxy)pyrimidine
CID 5045020
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
6-bromo-2-(3,5-dimethylphenoxy)pyrimidin-4-amine
CID 116797683
6-(3-chloro-4-fluorophenoxy)-2-ethylpyrimidin-4-amine
CID 80942481
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80990919

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine (CID 116797923) is 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine is Nc1cc(Br)nc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine?
The InChIKey is QZQYJJXFIXTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-8-4-9(14)16-10(15-8)17-5-1-2-7(13)6(12)3-5/h1-4H,(H2,14,15,16).
What are the key properties of 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine?
6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine has a molecular weight of 318.53 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).