[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine

C12H13FN4 — CID 105220915

IUPAC[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2ccncn2)c1
InChIInChI=1S/C12H13FN4/c1-8-2-3-10(13)9(6-8)12(17-14)11-4-5-15-7-16-11/h2-7,12,17H,14H2,1H3
InChIKeyKONXAJXCBLKLJJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.48
Rot. Bonds3

About [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine

[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine (PubChem CID 105220915) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
PubChem CID105220915
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2ccncn2)c1
InChIInChI=1S/C12H13FN4/c1-8-2-3-10(13)9(6-8)12(17-14)11-4-5-15-7-16-11/h2-7,12,17H,14H2,1H3
InChIKeyKONXAJXCBLKLJJ-UHFFFAOYSA-N
XLogP1.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[pyrimidin-4-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105220882
[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]hydrazine
CID 105221029
[(2-fluoro-5-methylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357861
[(2-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979071
[(2-fluoro-5-methylphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194262
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[(3-bromo-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105267988
[(2-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105193545
[(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302737
[(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105260703
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601
[(2,5-difluorophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105219377

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine?
The IUPAC name of [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine (CID 105220915) is [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine?
The canonical SMILES for [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine is Cc1ccc(F)c(C(NN)c2ccncn2)c1.
What is the InChIKey of [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine?
The InChIKey is KONXAJXCBLKLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8-2-3-10(13)9(6-8)12(17-14)11-4-5-15-7-16-11/h2-7,12,17H,14H2,1H3.
What are the key properties of [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine?
[(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine has a molecular weight of 232.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-5-methylphenyl)-pyrimidin-4-ylmethyl]hydrazine is sourced from PubChem (CID 105220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).