2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline

C11H10BrN3O — CID 66342175

IUPAC2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
SMILESCc1ccc(Oc2ncncc2Br)c(N)c1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-10(9(13)4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyXIVUJJUXIVBRDK-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.92
Rot. Bonds2

About 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline

2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline (PubChem CID 66342175) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline.

Molecular Properties

Compound Name2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
PubChem CID66342175
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
SMILESCc1ccc(Oc2ncncc2Br)c(N)c1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-10(9(13)4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyXIVUJJUXIVBRDK-UHFFFAOYSA-N
XLogP2.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
CID 66340180
2-[(5-bromo-3-chloro-2-pyridinyl)oxy]-5-methylaniline
CID 103582678
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
2-(5-iodopyrimidin-4-yl)oxy-4-methylaniline
CID 66340607
5-methyl-2-pyrazin-2-yloxyaniline
CID 61311465
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]-5-methoxyaniline
CID 105367213
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
5-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methoxyaniline
CID 103201979

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline?
The IUPAC name of 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline (CID 66342175) is 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline.
What is the SMILES notation for 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline?
The canonical SMILES for 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline is Cc1ccc(Oc2ncncc2Br)c(N)c1.
What is the InChIKey of 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline?
The InChIKey is XIVUJJUXIVBRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-2-3-10(9(13)4-7)16-11-8(12)5-14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline?
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline has a molecular weight of 280.12 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline is sourced from PubChem (CID 66342175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).