(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine

C11H16N4O — CID 80968951

IUPAC(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
SMILESC#CCOc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C11H16N4O/c1-5-6-16-9-7-8(15-12)13-10(14-9)11(2,3)4/h1,7H,6,12H2,2-4H3,(H,13,14,15)
InChIKeyGZQBAGJNZPTMEV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.07
Rot. Bonds3

About (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine

(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine (PubChem CID 80968951) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
PubChem CID80968951
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
SMILESC#CCOc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C11H16N4O/c1-5-6-16-9-7-8(15-12)13-10(14-9)11(2,3)4/h1,7H,6,12H2,2-4H3,(H,13,14,15)
InChIKeyGZQBAGJNZPTMEV-UHFFFAOYSA-N
XLogP1.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.07
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'}, {'alert_name': 'triple_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-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844
[2-tert-butyl-6-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]hydrazine
CID 80968204
N-ethyl-6-prop-2-ynoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773598
(2-tert-butyl-6-cyclobutyloxypyrimidin-4-yl)hydrazine
CID 80979275
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
(6-prop-2-ynoxypyrazin-2-yl)hydrazine
CID 80914520
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The IUPAC name of (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine (CID 80968951) is (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine is C#CCOc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
The InChIKey is GZQBAGJNZPTMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-5-6-16-9-7-8(15-12)13-10(14-9)11(2,3)4/h1,7H,6,12H2,2-4H3,(H,13,14,15).
What are the key properties of (2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine?
(2-tert-butyl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine has a molecular weight of 220.28 g/mol, XLogP of 1.07, 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-prop-2-ynoxypyrimidin-4-yl)hydrazine is sourced from PubChem (CID 80968951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).