[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine

C16H22N4O — CID 80939744

IUPAC[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C16H22N4O/c1-5-13-18-14(20-17)10-15(19-13)21-12-9-7-6-8-11(12)16(2,3)4/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyXTUNRCUXWKJRJK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.41
Rot. Bonds4

About [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine

[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80939744) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
PubChem CID80939744
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(NN)cc(Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C16H22N4O/c1-5-13-18-14(20-17)10-15(19-13)21-12-9-7-6-8-11(12)16(2,3)4/h6-10H,5,17H2,1-4H3,(H,18,19,20)
InChIKeyXTUNRCUXWKJRJK-UHFFFAOYSA-N
XLogP3.41
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.41
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-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
[2-ethyl-6-(2-methoxy-4-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80940996
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
[6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938302
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
[2-ethyl-6-(2-phenoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80939342
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
6-(2-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43261983
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736

Frequently Asked Questions

What is the IUPAC name of [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine (CID 80939744) is [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is CCc1nc(NN)cc(Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is XTUNRCUXWKJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-13-18-14(20-17)10-15(19-13)21-12-9-7-6-8-11(12)16(2,3)4/h6-10H,5,17H2,1-4H3,(H,18,19,20).
What are the key properties of [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine?
[6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 286.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-tert-butylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80939744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).