[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

C13H14BrFN4O — CID 81326582

IUPAC[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H14BrFN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyOIHOJAQHMUAEHL-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.58
Rot. Bonds4

About [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine

[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 81326582) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID81326582
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H14BrFN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyOIHOJAQHMUAEHL-UHFFFAOYSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.58
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'}

Analyze [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
4-(3-bromo-5-fluorophenoxy)-6-propan-2-yloxypyrimidin-5-amine
CID 81321704
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80913312
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 81326582) is [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is OIHOJAQHMUAEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-4-8(14)3-9(15)5-10/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 341.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81326582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).