4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine

C11H8BrCl2N3O — CID 80879248

IUPAC4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H8BrCl2N3O/c1-15-11-16-5-8(14)10(17-11)18-9-4-6(12)2-3-7(9)13/h2-5H,1H3,(H,15,16,17)
InChIKeyGIWGRBYYBOTEHU-UHFFFAOYSA-N
MW349.02 g/mol
LogP4.38
Rot. Bonds3

About 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine

4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine (PubChem CID 80879248) has the molecular formula C11H8BrCl2N3O and a molecular weight of 349.02 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
PubChem CID80879248
Molecular FormulaC11H8BrCl2N3O
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H8BrCl2N3O/c1-15-11-16-5-8(14)10(17-11)18-9-4-6(12)2-3-7(9)13/h2-5H,1H3,(H,15,16,17)
InChIKeyGIWGRBYYBOTEHU-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
5-chloro-N-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80874319
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
5-chloro-N-methyl-4-(4-methylsulfanylphenoxy)pyrimidin-2-amine
CID 80880698
8-(5-bromo-2-chlorophenoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 80878972

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine (CID 80879248) is 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine?
The InChIKey is GIWGRBYYBOTEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O/c1-15-11-16-5-8(14)10(17-11)18-9-4-6(12)2-3-7(9)13/h2-5H,1H3,(H,15,16,17).
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine?
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine has a molecular weight of 349.02 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80879248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).