[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine

C15H19ClN4O — CID 80909592

IUPAC[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)ncc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-9-5-6-12(10(7-9)15(2,3)4)21-13-11(16)8-18-14(19-13)20-17/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyVXMWUFMEXWTDPX-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.81
Rot. Bonds3

About [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine

[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine (PubChem CID 80909592) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine
PubChem CID80909592
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine
SMILESCc1ccc(Oc2nc(NN)ncc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H19ClN4O/c1-9-5-6-12(10(7-9)15(2,3)4)21-13-11(16)8-18-14(19-13)20-17/h5-8H,17H2,1-4H3,(H,18,19,20)
InChIKeyVXMWUFMEXWTDPX-UHFFFAOYSA-N
XLogP3.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine (CID 80909592) is [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine is Cc1ccc(Oc2nc(NN)ncc2Cl)c(C(C)(C)C)c1.
What is the InChIKey of [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine?
The InChIKey is VXMWUFMEXWTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-9-5-6-12(10(7-9)15(2,3)4)21-13-11(16)8-18-14(19-13)20-17/h5-8H,17H2,1-4H3,(H,18,19,20).
What are the key properties of [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine?
[4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine has a molecular weight of 306.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butyl-4-methylphenoxy)-5-chloropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80909592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).