[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid

C11H10F2N3O4P — CID 151140451

IUPAC[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
SMILESNP(=O)(O)Oc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C11H10F2N3O4P/c12-8-3-1-7(2-4-8)6-19-11-15-5-9(13)10(16-11)20-21(14,17)18/h1-5H,6H2,(H3,14,17,18)
InChIKeyMWBZEXQBTMRWFE-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.77
Rot. Bonds5

About [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid

[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid (PubChem CID 151140451) has the molecular formula C11H10F2N3O4P and a molecular weight of 317.19 g/mol. Its IUPAC name is [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid.

Molecular Properties

Compound Name[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
PubChem CID151140451
Molecular FormulaC11H10F2N3O4P
Molecular Weight317.19 g/mol
Exact Mass317.04
IUPAC Name[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
SMILESNP(=O)(O)Oc1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C11H10F2N3O4P/c12-8-3-1-7(2-4-8)6-19-11-15-5-9(13)10(16-11)20-21(14,17)18/h1-5H,6H2,(H3,14,17,18)
InChIKeyMWBZEXQBTMRWFE-UHFFFAOYSA-N
XLogP1.77
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 173099572
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
CID 118311806
5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
CID 160828403
N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
CID 143838946
N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
CID 59160578
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
CID 59160653
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
CID 67958447
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
CID 89165338
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513
(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid?
The IUPAC name of [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid (CID 151140451) is [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid.
What is the SMILES notation for [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid?
The canonical SMILES for [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid is NP(=O)(O)Oc1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid?
The InChIKey is MWBZEXQBTMRWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N3O4P/c12-8-3-1-7(2-4-8)6-19-11-15-5-9(13)10(16-11)20-21(14,17)18/h1-5H,6H2,(H3,14,17,18).
What are the key properties of [5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid?
[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid has a molecular weight of 317.19 g/mol, XLogP of 1.77, 5 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]pyrimidin-4-yl]oxyphosphonamidic acid is sourced from PubChem (CID 151140451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).