5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine

C16H12FN3O — CID 175815452

IUPAC5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
SMILESNc1ncncc1-c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C16H12FN3O/c17-12-2-1-3-14(8-12)21-13-6-4-11(5-7-13)15-9-19-10-20-16(15)18/h1-10H,(H2,18,19,20)
InChIKeyLOAJUSNQUHPHGL-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.66
Rot. Bonds3

About 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine

5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine (PubChem CID 175815452) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
PubChem CID175815452
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
SMILESNc1ncncc1-c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C16H12FN3O/c17-12-2-1-3-14(8-12)21-13-6-4-11(5-7-13)15-9-19-10-20-16(15)18/h1-10H,(H2,18,19,20)
InChIKeyLOAJUSNQUHPHGL-UHFFFAOYSA-N
XLogP3.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine (CID 175815452) is 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine is Nc1ncncc1-c1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine?
The InChIKey is LOAJUSNQUHPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-2-1-3-14(8-12)21-13-6-4-11(5-7-13)15-9-19-10-20-16(15)18/h1-10H,(H2,18,19,20).
What are the key properties of 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine?
5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine has a molecular weight of 281.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 175815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).