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

C12H13BrN4O2 — CID 104708877

IUPAC[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Oc2ncnc(NN)c2C)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-7-11(17-14)15-6-16-12(7)19-10-4-3-8(18-2)5-9(10)13/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyNDVKYBQLSCTJQG-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.63
Rot. Bonds4

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

[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 104708877) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID104708877
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc(Oc2ncnc(NN)c2C)c(Br)c1
InChIInChI=1S/C12H13BrN4O2/c1-7-11(17-14)15-6-16-12(7)19-10-4-3-8(18-2)5-9(10)13/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyNDVKYBQLSCTJQG-UHFFFAOYSA-N
XLogP2.63
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651
[6-(4-bromo-2-methylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924994
[6-(2-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80916535
6-(2-bromo-4-methoxyphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 104708854
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
4-(2-bromo-4-methoxyphenoxy)-6-chloro-5-(chloromethyl)pyrimidine
CID 107089155
[5-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-yl]hydrazine
CID 80915965
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine (CID 104708877) is [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is COc1ccc(Oc2ncnc(NN)c2C)c(Br)c1.
What is the InChIKey of [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is NDVKYBQLSCTJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-7-11(17-14)15-6-16-12(7)19-10-4-3-8(18-2)5-9(10)13/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 325.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 104708877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).