5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine

C11H9BrFN3O — CID 80876188

IUPAC5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCc2ccccc2F)n1
InChIInChI=1S/C11H9BrFN3O/c12-8-5-15-11(14)16-10(8)17-6-7-3-1-2-4-9(7)13/h1-5H,6H2,(H2,14,15,16)
InChIKeyOOZUFSOGIRBWDF-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine

5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine (PubChem CID 80876188) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
PubChem CID80876188
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCc2ccccc2F)n1
InChIInChI=1S/C11H9BrFN3O/c12-8-5-15-11(14)16-10(8)17-6-7-3-1-2-4-9(7)13/h1-5H,6H2,(H2,14,15,16)
InChIKeyOOZUFSOGIRBWDF-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine (CID 80876188) is 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine is Nc1ncc(Br)c(OCc2ccccc2F)n1.
What is the InChIKey of 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine?
The InChIKey is OOZUFSOGIRBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-8-5-15-11(14)16-10(8)17-6-7-3-1-2-4-9(7)13/h1-5H,6H2,(H2,14,15,16).
What are the key properties of 5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine?
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine has a molecular weight of 298.12 g/mol, XLogP of 2.54, 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-fluorophenyl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 80876188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).