5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine

C11H11F2N5 — CID 80908250

IUPAC5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccccc1F)c1nc(NN)ncc1F
InChIInChI=1S/C11H11F2N5/c1-18(9-5-3-2-4-7(9)12)10-8(13)6-15-11(16-10)17-14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyJFJDCZQLASNDEL-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.81
Rot. Bonds3

About 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine

5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine (PubChem CID 80908250) has the molecular formula C11H11F2N5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
PubChem CID80908250
Molecular FormulaC11H11F2N5
Molecular Weight251.24 g/mol
Exact Mass251.10
IUPAC Name5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccccc1F)c1nc(NN)ncc1F
InChIInChI=1S/C11H11F2N5/c1-18(9-5-3-2-4-7(9)12)10-8(13)6-15-11(16-10)17-14/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyJFJDCZQLASNDEL-UHFFFAOYSA-N
XLogP1.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.81
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

5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
5-fluoro-2-hydrazinyl-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80931324
5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 80896455
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990
3-(N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)anilino)propanenitrile
CID 80916506
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640251
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921680

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine (CID 80908250) is 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine is CN(c1ccccc1F)c1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine?
The InChIKey is JFJDCZQLASNDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5/c1-18(9-5-3-2-4-7(9)12)10-8(13)6-15-11(16-10)17-14/h2-6H,14H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine?
5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine has a molecular weight of 251.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80908250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).