[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine

C14H16BrClN4O — CID 80972766

IUPAC[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C14H16BrClN4O/c1-14(2,3)13-18-11(20-17)7-12(19-13)21-10-5-4-8(16)6-9(10)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyXPAFLSAOPKOJOS-UHFFFAOYSA-N
MW371.67 g/mol
LogP4.27
Rot. Bonds3

About [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine

[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine (PubChem CID 80972766) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
PubChem CID80972766
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C14H16BrClN4O/c1-14(2,3)13-18-11(20-17)7-12(19-13)21-10-5-4-8(16)6-9(10)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyXPAFLSAOPKOJOS-UHFFFAOYSA-N
XLogP4.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 54.27
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

[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
2-tert-butyl-6-(2-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80957916
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
6-(2-bromo-4-chlorophenoxy)-N-ethylpyrimidin-4-amine
CID 80881299
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine (CID 80972766) is [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2Br)n1.
What is the InChIKey of [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine?
The InChIKey is XPAFLSAOPKOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-14(2,3)13-18-11(20-17)7-12(19-13)21-10-5-4-8(16)6-9(10)15/h4-7H,17H2,1-3H3,(H,18,19,20).
What are the key properties of [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine?
[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine has a molecular weight of 371.67 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80972766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).