[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

C16H22N4O — CID 80910120

IUPAC[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2ccc(C(C)(C)C)cc2C)nc(NN)n1
InChIInChI=1S/C16H22N4O/c1-10-8-12(16(3,4)5)6-7-13(10)21-14-9-11(2)18-15(19-14)20-17/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyOWECHZXPMIOLQU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds3

About [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine

[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (PubChem CID 80910120) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
PubChem CID80910120
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2ccc(C(C)(C)C)cc2C)nc(NN)n1
InChIInChI=1S/C16H22N4O/c1-10-8-12(16(3,4)5)6-7-13(10)21-14-9-11(2)18-15(19-14)20-17/h6-9H,17H2,1-5H3,(H,18,19,20)
InChIKeyOWECHZXPMIOLQU-UHFFFAOYSA-N
XLogP3.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
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

[4-(5-fluoro-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 102989643
[4-methyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-yl]hydrazine
CID 80913418
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
[4-(4-bromo-3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 107727424
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80916371
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine (CID 80910120) is [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is Cc1cc(Oc2ccc(C(C)(C)C)cc2C)nc(NN)n1.
What is the InChIKey of [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
The InChIKey is OWECHZXPMIOLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-8-12(16(3,4)5)6-7-13(10)21-14-9-11(2)18-15(19-14)20-17/h6-9H,17H2,1-5H3,(H,18,19,20).
What are the key properties of [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine?
[4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butyl-2-methylphenoxy)-6-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80910120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).