2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline

C11H9BrClN3O2 — CID 106997967

IUPAC2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
SMILESCOc1nc(Oc2ccc(Cl)cc2N)ncc1Br
InChIInChI=1S/C11H9BrClN3O2/c1-17-10-7(12)5-15-11(16-10)18-9-3-2-6(13)4-8(9)14/h2-5H,14H2,1H3
InChIKeyYQIUPHHYXJCDMH-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.28
Rot. Bonds3

About 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline

2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline (PubChem CID 106997967) has the molecular formula C11H9BrClN3O2 and a molecular weight of 330.57 g/mol. Its IUPAC name is 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline.

Molecular Properties

Compound Name2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
PubChem CID106997967
Molecular FormulaC11H9BrClN3O2
Molecular Weight330.57 g/mol
Exact Mass328.96
IUPAC Name2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
SMILESCOc1nc(Oc2ccc(Cl)cc2N)ncc1Br
InChIInChI=1S/C11H9BrClN3O2/c1-17-10-7(12)5-15-11(16-10)18-9-3-2-6(13)4-8(9)14/h2-5H,14H2,1H3
InChIKeyYQIUPHHYXJCDMH-UHFFFAOYSA-N
XLogP3.28
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-methylaniline
CID 106997973
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106997994
[5-bromo-2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106999555
4-(5-bromo-4-methoxypyrimidin-2-yl)oxy-3-prop-2-enylaniline
CID 106997993
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
CID 43518893
5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline?
The IUPAC name of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline (CID 106997967) is 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline.
What is the SMILES notation for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline?
The canonical SMILES for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline is COc1nc(Oc2ccc(Cl)cc2N)ncc1Br.
What is the InChIKey of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline?
The InChIKey is YQIUPHHYXJCDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2/c1-17-10-7(12)5-15-11(16-10)18-9-3-2-6(13)4-8(9)14/h2-5H,14H2,1H3.
What are the key properties of 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline?
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline has a molecular weight of 330.57 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline is sourced from PubChem (CID 106997967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).