[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine

C14H17ClN4O — CID 80968447

IUPAC[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyZQIBSUWBDKDJLE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.51
Rot. Bonds3

About [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80968447) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80968447
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,17,18,19)
InChIKeyZQIBSUWBDKDJLE-UHFFFAOYSA-N
XLogP3.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.51
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 [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine (CID 80968447) is [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is ZQIBSUWBDKDJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-14(2,3)13-17-11(19-16)8-12(18-13)20-10-6-4-9(15)5-7-10/h4-8H,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 292.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).