4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine

C10H6BrClFN3O — CID 80881127

IUPAC4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H6BrClFN3O/c11-6-3-5(12)1-2-8(6)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyJCXCVKNFZAUJDL-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.41
Rot. Bonds2

About 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine

4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80881127) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80881127
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C10H6BrClFN3O/c11-6-3-5(12)1-2-8(6)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16)
InChIKeyJCXCVKNFZAUJDL-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine (CID 80881127) is 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is JCXCVKNFZAUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-6-3-5(12)1-2-8(6)17-9-7(13)4-15-10(14)16-9/h1-4H,(H2,14,15,16).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 318.53 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80881127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).