4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine

C10H5BrCl2FN3O — CID 107662603

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C10H5BrCl2FN3O/c11-4-1-6(13)8(2-5(4)12)18-9-7(14)3-16-10(15)17-9/h1-3H,(H2,15,16,17)
InChIKeyWJITZAQKIKPLJQ-UHFFFAOYSA-N
MW352.98 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine

4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 107662603) has the molecular formula C10H5BrCl2FN3O and a molecular weight of 352.98 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID107662603
Molecular FormulaC10H5BrCl2FN3O
Molecular Weight352.98 g/mol
Exact Mass350.90
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2cc(Cl)c(Br)cc2Cl)n1
InChIInChI=1S/C10H5BrCl2FN3O/c11-4-1-6(13)8(2-5(4)12)18-9-7(14)3-16-10(15)17-9/h1-3H,(H2,15,16,17)
InChIKeyWJITZAQKIKPLJQ-UHFFFAOYSA-N
XLogP4.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.98
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine (CID 107662603) is 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2cc(Cl)c(Br)cc2Cl)n1.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is WJITZAQKIKPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2FN3O/c11-4-1-6(13)8(2-5(4)12)18-9-7(14)3-16-10(15)17-9/h1-3H,(H2,15,16,17).
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine?
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 352.98 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 107662603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).