2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine

C10H9FN4O — CID 118311907

IUPAC2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
SMILESNc1cccc(Oc2ncc(F)c(N)n2)c1
InChIInChI=1S/C10H9FN4O/c11-8-5-14-10(15-9(8)13)16-7-3-1-2-6(12)4-7/h1-5H,12H2,(H2,13,14,15)
InChIKeyCJKUEPADBGFGNI-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.57
Rot. Bonds2

About 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine

2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine (PubChem CID 118311907) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
PubChem CID118311907
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine
SMILESNc1cccc(Oc2ncc(F)c(N)n2)c1
InChIInChI=1S/C10H9FN4O/c11-8-5-14-10(15-9(8)13)16-7-3-1-2-6(12)4-7/h1-5H,12H2,(H2,13,14,15)
InChIKeyCJKUEPADBGFGNI-UHFFFAOYSA-N
XLogP1.57
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine (CID 118311907) is 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine is Nc1cccc(Oc2ncc(F)c(N)n2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine?
The InChIKey is CJKUEPADBGFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c11-8-5-14-10(15-9(8)13)16-7-3-1-2-6(12)4-7/h1-5H,12H2,(H2,13,14,15).
What are the key properties of 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine?
2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine has a molecular weight of 220.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 118311907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).