5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide

C12H10F2N4O2 — CID 173099572

IUPAC5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
SMILESNC(=NO)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N4O2/c13-8-3-1-7(2-4-8)6-20-12-16-5-9(14)10(17-12)11(15)18-19/h1-5,19H,6H2,(H2,15,18)
InChIKeyAARLVSCCJLLORI-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.43
Rot. Bonds4

About 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide

5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 173099572) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID173099572
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
SMILESNC(=NO)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C12H10F2N4O2/c13-8-3-1-7(2-4-8)6-20-12-16-5-9(14)10(17-12)11(15)18-19/h1-5,19H,6H2,(H2,15,18)
InChIKeyAARLVSCCJLLORI-UHFFFAOYSA-N
XLogP1.43
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide (CID 173099572) is 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide is NC(=NO)c1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is AARLVSCCJLLORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-8-3-1-7(2-4-8)6-20-12-16-5-9(14)10(17-12)11(15)18-19/h1-5,19H,6H2,(H2,15,18).
What are the key properties of 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide?
5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 280.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 173099572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).