4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

C11H18N4O2 — CID 65356286

IUPAC4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9-13-8(14-10(12)15-9)7-6-16-4-5-17-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXZDFLPQZVGVNES-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds1

About 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65356286) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65356286
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2COCCO2)n1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9-13-8(14-10(12)15-9)7-6-16-4-5-17-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyXZDFLPQZVGVNES-UHFFFAOYSA-N
XLogP0.84
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (CID 65356286) is 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(C2COCCO2)n1.
What is the InChIKey of 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is XZDFLPQZVGVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)9-13-8(14-10(12)15-9)7-6-16-4-5-17-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65356286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).