[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

C13H15BrN4O — CID 107727424

IUPAC[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(C)c(Br)c(C)c2)nc(NN)n1
InChIInChI=1S/C13H15BrN4O/c1-7-4-10(5-8(2)12(7)14)19-11-6-9(3)16-13(17-11)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyLWSPRODGRLOXES-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.24
Rot. Bonds3

About [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 107727424) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID107727424
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2cc(C)c(Br)c(C)c2)nc(NN)n1
InChIInChI=1S/C13H15BrN4O/c1-7-4-10(5-8(2)12(7)14)19-11-6-9(3)16-13(17-11)18-15/h4-6H,15H2,1-3H3,(H,16,17,18)
InChIKeyLWSPRODGRLOXES-UHFFFAOYSA-N
XLogP3.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.24
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

[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80916371
[5-bromo-4-(4-bromo-3,5-dimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 107727403
[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107727417
1-[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 107725916
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
[2-(4-bromo-3,5-dimethylphenoxy)-6-methyl-4-pyridinyl]methanol
CID 107725591
[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80910120
[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 102989643
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (CID 107727424) is [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Oc2cc(C)c(Br)c(C)c2)nc(NN)n1.
What is the InChIKey of [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is LWSPRODGRLOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-7-4-10(5-8(2)12(7)14)19-11-6-9(3)16-13(17-11)18-15/h4-6H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 107727424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).