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

C12H22N4O — CID 80968204

IUPAC[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)Oc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-11(2,3)10-14-8(16-13)7-9(15-10)17-12(4,5)6/h7H,13H2,1-6H3,(H,14,15,16)
InChIKeyINXDEVWDCDHZGB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.24
Rot. Bonds2

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

[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine (PubChem CID 80968204) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
PubChem CID80968204
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)Oc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-11(2,3)10-14-8(16-13)7-9(15-10)17-12(4,5)6/h7H,13H2,1-6H3,(H,14,15,16)
InChIKeyINXDEVWDCDHZGB-UHFFFAOYSA-N
XLogP2.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.24
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-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968951
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[6-(2-bromo-4-chlorophenoxy)-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80972766
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine (CID 80968204) is [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine is CC(C)(C)Oc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine?
The InChIKey is INXDEVWDCDHZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)10-14-8(16-13)7-9(15-10)17-12(4,5)6/h7H,13H2,1-6H3,(H,14,15,16).
What are the key properties of [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).