4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

C16H22N4 — CID 63868483

IUPAC4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4/c1-10(2)11-6-8-12(9-7-11)13-18-14(16(3,4)5)20-15(17)19-13/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyVNWHTFKDUVYOEW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.54
Rot. Bonds2

About 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 63868483) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
PubChem CID63868483
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C16H22N4/c1-10(2)11-6-8-12(9-7-11)13-18-14(16(3,4)5)20-15(17)19-13/h6-10H,1-5H3,(H2,17,18,19,20)
InChIKeyVNWHTFKDUVYOEW-UHFFFAOYSA-N
XLogP3.54
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (CID 63868483) is 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is CC(C)c1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1.
What is the InChIKey of 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is VNWHTFKDUVYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10(2)11-6-8-12(9-7-11)13-18-14(16(3,4)5)20-15(17)19-13/h6-10H,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).