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

C13H14BrClN4O — CID 80980378

IUPAC[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyPEDVPCXIJMTTHD-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.09
Rot. Bonds4

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

[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80980378) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80980378
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC Name[6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1nc(NN)cc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyPEDVPCXIJMTTHD-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-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
[6-(4-bromo-2-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001299
[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]hydrazine
CID 80916570
[6-(3,5-dichlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80979166
[6-(2-iodophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980270
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
6-(4-bromo-2-chlorophenoxy)pyrimidine-2,4-diamine
CID 80881336
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[6-[(4-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80980065

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80980378) is [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1nc(NN)cc(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is PEDVPCXIJMTTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-7(2)13-17-11(19-16)6-12(18-13)20-10-4-3-8(14)5-9(10)15/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-(4-bromo-2-chlorophenoxy)-2-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-(4-bromo-2-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).