5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline

C11H10BrN3O — CID 79843015

IUPAC5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline
SMILESCc1cc(Br)cc(N)c1Oc1ccncn1
InChIInChI=1S/C11H10BrN3O/c1-7-4-8(12)5-9(13)11(7)16-10-2-3-14-6-15-10/h2-6H,13H2,1H3
InChIKeyUKWTXKKFWCXWLM-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.92
Rot. Bonds2

About 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline

5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline (PubChem CID 79843015) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline.

Molecular Properties

Compound Name5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline
PubChem CID79843015
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline
SMILESCc1cc(Br)cc(N)c1Oc1ccncn1
InChIInChI=1S/C11H10BrN3O/c1-7-4-8(12)5-9(13)11(7)16-10-2-3-14-6-15-10/h2-6H,13H2,1H3
InChIKeyUKWTXKKFWCXWLM-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline?
The IUPAC name of 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline (CID 79843015) is 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline.
What is the SMILES notation for 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline?
The canonical SMILES for 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline is Cc1cc(Br)cc(N)c1Oc1ccncn1.
What is the InChIKey of 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline?
The InChIKey is UKWTXKKFWCXWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-4-8(12)5-9(13)11(7)16-10-2-3-14-6-15-10/h2-6H,13H2,1H3.
What are the key properties of 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline?
5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline 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 5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline is sourced from PubChem (CID 79843015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).