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

C14H24N4O — CID 80681420

IUPAC[6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C14H24N4O/c1-13(2,3)10-9-11(18-15)17-12(16-10)14(4)7-5-6-8-19-14/h9H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyXONIKWLKLUMQNJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.48
Rot. Bonds2

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

[6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80681420) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID80681420
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C14H24N4O/c1-13(2,3)10-9-11(18-15)17-12(16-10)14(4)7-5-6-8-19-14/h9H,5-8,15H2,1-4H3,(H,16,17,18)
InChIKeyXONIKWLKLUMQNJ-UHFFFAOYSA-N
XLogP2.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine (CID 80681420) is [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(C2(C)CCCCO2)n1.
What is the InChIKey of [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is XONIKWLKLUMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13(2,3)10-9-11(18-15)17-12(16-10)14(4)7-5-6-8-19-14/h9H,5-8,15H2,1-4H3,(H,16,17,18).
What are the key properties of [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 264.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80681420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).