[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

C13H14ClFN4 — CID 55181402

IUPAC[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(-c2ccc(F)c(Cl)c2)nc1NN
InChIInChI=1S/C13H14ClFN4/c1-3-9-7(2)17-12(18-13(9)19-16)8-4-5-11(15)10(14)6-8/h4-6H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyOTJIWWAAZPZAQB-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.09
Rot. Bonds3

About [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 55181402) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
PubChem CID55181402
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(-c2ccc(F)c(Cl)c2)nc1NN
InChIInChI=1S/C13H14ClFN4/c1-3-9-7(2)17-12(18-13(9)19-16)8-4-5-11(15)10(14)6-8/h4-6H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyOTJIWWAAZPZAQB-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (CID 55181402) is [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is CCc1c(C)nc(-c2ccc(F)c(Cl)c2)nc1NN.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is OTJIWWAAZPZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-3-9-7(2)17-12(18-13(9)19-16)8-4-5-11(15)10(14)6-8/h4-6H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 280.73 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 55181402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).