5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine

C10H6BrClFN3O — CID 3990489

IUPAC5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(Oc2ccccc2F)n1
InChIInChI=1S/C10H6BrClFN3O/c11-7-8(12)15-10(14)16-9(7)17-6-4-2-1-3-5(6)13/h1-4H,(H2,14,15,16)
InChIKeyNGLSTRGKNDHIBP-UHFFFAOYSA-N
MW318.53 g/mol
LogP3.41
Rot. Bonds2

About 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine

5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine (PubChem CID 3990489) has the molecular formula C10H6BrClFN3O and a molecular weight of 318.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
PubChem CID3990489
Molecular FormulaC10H6BrClFN3O
Molecular Weight318.53 g/mol
Exact Mass316.94
IUPAC Name5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)c(Br)c(Oc2ccccc2F)n1
InChIInChI=1S/C10H6BrClFN3O/c11-7-8(12)15-10(14)16-9(7)17-6-4-2-1-3-5(6)13/h1-4H,(H2,14,15,16)
InChIKeyNGLSTRGKNDHIBP-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 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine (CID 3990489) is 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine is Nc1nc(Cl)c(Br)c(Oc2ccccc2F)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is NGLSTRGKNDHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O/c11-7-8(12)15-10(14)16-9(7)17-6-4-2-1-3-5(6)13/h1-4H,(H2,14,15,16).
What are the key properties of 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine?
5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-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 5-bromo-4-chloro-6-(2-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 3990489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).