[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine

C15H28N4O — CID 116777561

IUPAC[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCCOC(CC)(CC)c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-15(8-2,20-9-3)13-17-11(14(4,5)6)10-12(18-13)19-16/h10H,7-9,16H2,1-6H3,(H,17,18,19)
InChIKeyNDDKUQFGQJIREN-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.11
Rot. Bonds6

About [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine (PubChem CID 116777561) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
PubChem CID116777561
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCCOC(CC)(CC)c1nc(NN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-15(8-2,20-9-3)13-17-11(14(4,5)6)10-12(18-13)19-16/h10H,7-9,16H2,1-6H3,(H,17,18,19)
InChIKeyNDDKUQFGQJIREN-UHFFFAOYSA-N
XLogP3.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.11
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

6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-amine
CID 116775612
(2-tert-butyl-6-ethoxypyrimidin-4-yl)hydrazine
CID 80968739
[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777566
[2-(2-ethoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116730343
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
[6-tert-butyl-2-(propoxymethyl)pyrimidin-4-yl]hydrazine
CID 62251621
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
[2-(2-ethoxypropan-2-yl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730455
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
[6-tert-butyl-2-(1-methoxypropan-2-yl)pyrimidin-4-yl]hydrazine
CID 116503109
6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116775920
[2-tert-butyl-6-(2-ethoxyethoxy)pyrimidin-4-yl]hydrazine
CID 80968844

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine (CID 116777561) is [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine is CCOC(CC)(CC)c1nc(NN)cc(C(C)(C)C)n1.
What is the InChIKey of [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is NDDKUQFGQJIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-15(8-2,20-9-3)13-17-11(14(4,5)6)10-12(18-13)19-16/h10H,7-9,16H2,1-6H3,(H,17,18,19).
What are the key properties of [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 280.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).