[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine

C12H13BrN4O — CID 80924994

IUPAC[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1Oc1ncnc(NN)c1C
InChIInChI=1S/C12H13BrN4O/c1-7-5-9(13)3-4-10(7)18-12-8(2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyMFPGEPXNCIVEFE-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.93
Rot. Bonds3

About [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine

[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80924994) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80924994
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(Br)ccc1Oc1ncnc(NN)c1C
InChIInChI=1S/C12H13BrN4O/c1-7-5-9(13)3-4-10(7)18-12-8(2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyMFPGEPXNCIVEFE-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.93
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

[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
4-(4-bromo-2-methylphenoxy)-7-methylthieno[3,2-d]pyrimidine
CID 102686187
[6-(5-bromo-2-methylphenoxy)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 107287696
[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80921308
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
[5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80917904
4-(4-bromo-2-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203118
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 80924994) is [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine is Cc1cc(Br)ccc1Oc1ncnc(NN)c1C.
What is the InChIKey of [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is MFPGEPXNCIVEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-5-9(13)3-4-10(7)18-12-8(2)11(17-14)15-6-16-12/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 309.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).