5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine

C11H8Br2FN3O — CID 80881931

IUPAC5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8Br2FN3O/c1-15-11-16-5-7(13)10(17-11)18-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,16,17)
InChIKeyCBHOTUPZLFEJQA-UHFFFAOYSA-N
MW377.01 g/mol
LogP3.97
Rot. Bonds3

About 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine

5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80881931) has the molecular formula C11H8Br2FN3O and a molecular weight of 377.01 g/mol. Its IUPAC name is 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
PubChem CID80881931
Molecular FormulaC11H8Br2FN3O
Molecular Weight377.01 g/mol
Exact Mass374.90
IUPAC Name5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H8Br2FN3O/c1-15-11-16-5-7(13)10(17-11)18-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,16,17)
InChIKeyCBHOTUPZLFEJQA-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.01
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
5-bromo-4-(2,5-difluoro-4-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80880025
5-bromo-4-(2,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80862949
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine (CID 80881931) is 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is CBHOTUPZLFEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FN3O/c1-15-11-16-5-7(13)10(17-11)18-9-3-2-6(12)4-8(9)14/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine?
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 377.01 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80881931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).