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

C11H18N4O — CID 65330262

IUPAC4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyHNHOURKESTXMMZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds1

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

4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 65330262) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID65330262
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyHNHOURKESTXMMZ-UHFFFAOYSA-N
XLogP1.60
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine (CID 65330262) is 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(C2CCCO2)n1.
What is the InChIKey of 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is HNHOURKESTXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-4-6-16-7/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(oxolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).