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

C10H7ClFN3O — CID 4554770

IUPAC4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C10H7ClFN3O/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15)
InChIKeyWXCOIYSBJFQYMA-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.64
Rot. Bonds2

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

4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine (PubChem CID 4554770) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine
PubChem CID4554770
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C10H7ClFN3O/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15)
InChIKeyWXCOIYSBJFQYMA-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine (CID 4554770) is 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine?
The InChIKey is WXCOIYSBJFQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15).
What are the key properties of 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine?
4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine has a molecular weight of 239.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 4554770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).