[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

C14H17FN4O — CID 105261518

IUPAC[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ncc(C)cn2)cc1F
InChIInChI=1S/C14H17FN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-3-4-13(20-2)11(15)5-10/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyGWHLGXGHSSIWMJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.68
Rot. Bonds5

About [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine

[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (PubChem CID 105261518) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
PubChem CID105261518
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2ncc(C)cn2)cc1F
InChIInChI=1S/C14H17FN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-3-4-13(20-2)11(15)5-10/h3-5,7-8,12,19H,6,16H2,1-2H3
InChIKeyGWHLGXGHSSIWMJ-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
[2-(5-bromo-2-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261563
[1-(5-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105280097
[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105293076
[1-(4-chloro-2-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105217864
[1-(3-ethyl-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105263789
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129
[2-(3-chlorophenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine
CID 105261694
[1-(3-bromo-4-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105260966
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
[1-(5-bromo-2-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105292972
1-(2,6-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79516326

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine (CID 105261518) is [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is COc1ccc(CC(NN)c2ncc(C)cn2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
The InChIKey is GWHLGXGHSSIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9-7-17-14(18-8-9)12(19-16)6-10-3-4-13(20-2)11(15)5-10/h3-5,7-8,12,19H,6,16H2,1-2H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine?
[2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine has a molecular weight of 276.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105261518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).