6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine

C11H9BrFN3O — CID 83236952

IUPAC6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C11H9BrFN3O/c1-14-10-5-11(16-6-15-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,15,16)
InChIKeyKNWAQVITBXCUOI-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine

6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 83236952) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
PubChem CID83236952
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc(F)c(Br)c2)ncn1
InChIInChI=1S/C11H9BrFN3O/c1-14-10-5-11(16-6-15-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,15,16)
InChIKeyKNWAQVITBXCUOI-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
CID 80859646
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871140
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine (CID 83236952) is 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2ccc(F)c(Br)c2)ncn1.
What is the InChIKey of 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is KNWAQVITBXCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-14-10-5-11(16-6-15-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine?
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 298.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 83236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).