5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine

C12H11BrFN3O — CID 80877608

IUPAC5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyGKZYFPAQRFHTHG-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.52
Rot. Bonds3

About 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine

5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80877608) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
PubChem CID80877608
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Br)c(Oc2cc(C)ccc2F)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyGKZYFPAQRFHTHG-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
5-bromo-4-(2,5-difluoro-4-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80880025
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
5-bromo-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80863242
5-bromo-4-(5-chloro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80872739
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
[5-bromo-2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854885
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
5-bromo-N-methyl-4-(2-propoxyphenoxy)pyrimidin-2-amine
CID 80862412

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine (CID 80877608) is 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine is CNc1ncc(Br)c(Oc2cc(C)ccc2F)n1.
What is the InChIKey of 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is GKZYFPAQRFHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-3-4-9(14)10(5-7)18-11-8(13)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine?
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 312.14 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80877608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).