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

C19H17F2IN4O — CID 89165338

IUPAC1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
SMILESNN(Cc1ccccc1CI)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C19H17F2IN4O/c20-16-7-5-13(6-8-16)12-27-19-24-10-17(21)18(25-19)26(23)11-15-4-2-1-3-14(15)9-22/h1-8,10H,9,11-12,23H2
InChIKeyVOJSHCCNAVBCBI-UHFFFAOYSA-N
MW482.27 g/mol
LogP4.15
Rot. Bonds7

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

1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine (PubChem CID 89165338) has the molecular formula C19H17F2IN4O and a molecular weight of 482.27 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
PubChem CID89165338
Molecular FormulaC19H17F2IN4O
Molecular Weight482.27 g/mol
Exact Mass482.04
IUPAC Name1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
SMILESNN(Cc1ccccc1CI)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C19H17F2IN4O/c20-16-7-5-13(6-8-16)12-27-19-24-10-17(21)18(25-19)26(23)11-15-4-2-1-3-14(15)9-22/h1-8,10H,9,11-12,23H2
InChIKeyVOJSHCCNAVBCBI-UHFFFAOYSA-N
XLogP4.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
CID 59160653
5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 173099572
[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
CID 151140451
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
5-fluoro-2-[(4-fluorophenyl)methoxy]-N-[(E)-(2-methylphenyl)methylideneamino]pyrimidin-4-amine
CID 118312671
5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
CID 67958447
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-[(4-fluorophenyl)methoxy]phthalazine
CID 78767267
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine?
The IUPAC name of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine (CID 89165338) is 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine?
The canonical SMILES for 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine is NN(Cc1ccccc1CI)c1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine?
The InChIKey is VOJSHCCNAVBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2IN4O/c20-16-7-5-13(6-8-16)12-27-19-24-10-17(21)18(25-19)26(23)11-15-4-2-1-3-14(15)9-22/h1-8,10H,9,11-12,23H2.
What are the key properties of 1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine?
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine has a molecular weight of 482.27 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 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]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 89165338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).