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

C13H14BrClN4O — CID 80924618

IUPAC[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRBIINVCZWFONRM-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.09
Rot. Bonds4

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

[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80924618) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80924618
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRBIINVCZWFONRM-UHFFFAOYSA-N
XLogP4.09
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.09
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-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696
[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099

Frequently Asked Questions

What is the IUPAC name of [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80924618) is [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is RBIINVCZWFONRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-7(2)11-12(19-16)17-6-18-13(11)20-10-5-8(14)3-4-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 357.64 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80924618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).