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

C12H22N4O2 — CID 80968844

IUPAC[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
SMILESCCOCCOc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-5-17-6-7-18-10-8-9(16-13)14-11(15-10)12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyOARSMIQJZGBIKP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds6

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

[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80968844) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
PubChem CID80968844
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
SMILESCCOCCOc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-5-17-6-7-18-10-8-9(16-13)14-11(15-10)12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyOARSMIQJZGBIKP-UHFFFAOYSA-N
XLogP1.48
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[6-(2-ethoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80910968
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968951
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
[6-(2-ethoxyethoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 115916297
[2-methyl-6-(2-propoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80925081
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82456857
[6-(2-butoxyethoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80909301
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine (CID 80968844) is [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine is CCOCCOc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is OARSMIQJZGBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-17-6-7-18-10-8-9(16-13)14-11(15-10)12(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 254.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).