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

C14H18N4 — CID 63869011

IUPAC4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C14H18N4/c1-9-5-7-10(8-6-9)11-16-12(14(2,3)4)18-13(15)17-11/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyGVYHOXQRYZFKFS-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.73
Rot. Bonds1

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

4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 63869011) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID63869011
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1
InChIInChI=1S/C14H18N4/c1-9-5-7-10(8-6-9)11-16-12(14(2,3)4)18-13(15)17-11/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyGVYHOXQRYZFKFS-UHFFFAOYSA-N
XLogP2.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.73
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-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 63869011) is 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine is Cc1ccc(-c2nc(N)nc(C(C)(C)C)n2)cc1.
What is the InChIKey of 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is GVYHOXQRYZFKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-5-7-10(8-6-9)11-16-12(14(2,3)4)18-13(15)17-11/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.73, 1 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-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63869011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).