(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine

C12H20N4O — CID 80979275

IUPAC(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(OC2CCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)11-14-9(16-13)7-10(15-11)17-8-5-4-6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyVVGHEBVEJXVEKT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.99
Rot. Bonds3

About (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine

(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine (PubChem CID 80979275) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
PubChem CID80979275
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
SMILESCC(C)(C)c1nc(NN)cc(OC2CCC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2,3)11-14-9(16-13)7-10(15-11)17-8-5-4-6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16)
InChIKeyVVGHEBVEJXVEKT-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.99
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-N-methyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80965644
[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776447
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
2-tert-butyl-N-cyclooctyl-6-hydrazinylpyrimidin-4-amine
CID 80969325
(6-cyclohexyloxy-2-cyclopropylpyrimidin-4-yl)hydrazine
CID 80968842
[6-(3,4-dimethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776446
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
[6-(3-methoxycyclohexyl)oxy-2-methylpyrimidin-4-yl]hydrazine
CID 80925248
[2-cyclopropyl-6-(4-methylcyclohexyl)oxypyrimidin-4-yl]hydrazine
CID 80969664
[2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]hydrazine
CID 80969768

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine (CID 80979275) is (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine is CC(C)(C)c1nc(NN)cc(OC2CCC2)n1.
What is the InChIKey of (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine?
The InChIKey is VVGHEBVEJXVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)11-14-9(16-13)7-10(15-11)17-8-5-4-6-8/h7-8H,4-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine?
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine has a molecular weight of 236.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80979275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).