1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine

C17H13F3N4O — CID 59160653

IUPAC1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
SMILESFc1ccc(COc2ncc(F)c(NNc3ccccc3F)n2)cc1
InChIInChI=1S/C17H13F3N4O/c18-12-7-5-11(6-8-12)10-25-17-21-9-14(20)16(22-17)24-23-15-4-2-1-3-13(15)19/h1-9,23H,10H2,(H,21,22,24)
InChIKeyOHIKXZAYHLGBDY-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.91
Rot. Bonds6

About 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine

1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine (PubChem CID 59160653) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
PubChem CID59160653
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
SMILESFc1ccc(COc2ncc(F)c(NNc3ccccc3F)n2)cc1
InChIInChI=1S/C17H13F3N4O/c18-12-7-5-11(6-8-12)10-25-17-21-9-14(20)16(22-17)24-23-15-4-2-1-3-13(15)19/h1-9,23H,10H2,(H,21,22,24)
InChIKeyOHIKXZAYHLGBDY-UHFFFAOYSA-N
XLogP3.91
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
5-fluoro-2-[(4-fluorophenyl)methoxy]-N-[(E)-(2-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 118312671
2-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]sulfanyl-N-hydroxybenzeneamine oxide
CID 148602267
5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
CID 160828403
prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
CID 118311806
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
CID 59160617
5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 173099572
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
CID 89165338
5-fluoro-N-phenylmethoxy-2-prop-2-enoxypyrimidin-4-amine
CID 59160652

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine?
The IUPAC name of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine (CID 59160653) is 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine.
What is the SMILES notation for 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine?
The canonical SMILES for 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine is Fc1ccc(COc2ncc(F)c(NNc3ccccc3F)n2)cc1.
What is the InChIKey of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine?
The InChIKey is OHIKXZAYHLGBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-12-7-5-11(6-8-12)10-25-17-21-9-14(20)16(22-17)24-23-15-4-2-1-3-13(15)19/h1-9,23H,10H2,(H,21,22,24).
What are the key properties of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine?
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine has a molecular weight of 346.31 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine is sourced from PubChem (CID 59160653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).