[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

C12H12BrFN4O — CID 83234575

IUPAC[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H12BrFN4O/c1-7-4-11(18-15)17-12(16-7)6-19-8-2-3-10(14)9(13)5-8/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyFNIHFSFKMUOPLB-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.55
Rot. Bonds4

About [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine

[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 83234575) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID83234575
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(COc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H12BrFN4O/c1-7-4-11(18-15)17-12(16-7)6-19-8-2-3-10(14)9(13)5-8/h2-5H,6,15H2,1H3,(H,16,17,18)
InChIKeyFNIHFSFKMUOPLB-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.55
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-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 107170574
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
[6-methyl-2-[(4-propylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656739
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
[2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80663620
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
[6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656225
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine (CID 83234575) is [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(COc2ccc(F)c(Br)c2)n1.
What is the InChIKey of [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is FNIHFSFKMUOPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-7-4-11(18-15)17-12(16-7)6-19-8-2-3-10(14)9(13)5-8/h2-5H,6,15H2,1H3,(H,16,17,18).
What are the key properties of [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine?
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 327.16 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83234575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).