5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine

C12H10F2N4O — CID 76620561

IUPAC5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine
SMILESCC(=NOc1ncc(F)c(N)n1)c1ccc(F)cc1
InChIInChI=1S/C12H10F2N4O/c1-7(8-2-4-9(13)5-3-8)18-19-12-16-6-10(14)11(15)17-12/h2-6H,1H3,(H2,15,16,17)
InChIKeyMHVGEWHIUOIAFD-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.14
Rot. Bonds3

About 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine

5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine (PubChem CID 76620561) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine
PubChem CID76620561
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine
SMILESCC(=NOc1ncc(F)c(N)n1)c1ccc(F)cc1
InChIInChI=1S/C12H10F2N4O/c1-7(8-2-4-9(13)5-3-8)18-19-12-16-6-10(14)11(15)17-12/h2-6H,1H3,(H2,15,16,17)
InChIKeyMHVGEWHIUOIAFD-UHFFFAOYSA-N
XLogP2.14
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine (CID 76620561) is 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine is CC(=NOc1ncc(F)c(N)n1)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine?
The InChIKey is MHVGEWHIUOIAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c1-7(8-2-4-9(13)5-3-8)18-19-12-16-6-10(14)11(15)17-12/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine?
5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine has a molecular weight of 264.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(4-fluorophenyl)ethylideneamino]oxypyrimidin-4-amine is sourced from PubChem (CID 76620561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).