N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine

C32H35F3N6O2 — CID 11721293

About N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine

N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine (PubChem CID 11721293) has the molecular formula C32H35F3N6O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine
• PubChem CID: 11721293
• Molecular Formula: C32H35F3N6O2
• Molecular Weight: 592.67 g/mol
• Exact Mass: 592.28
• IUPAC Name: N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine
• SMILES: COc1ccccc1N1CCN(c2nc(Nc3ccc(C(C)(C)C)cc3)nc(OCc3ccccc3C(F)(F)F)n2)CC1
• InChI: InChI=1S/C32H35F3N6O2/c1-31(2,3)23-13-15-24(16-14-23)36-28-37-29(41-19-17-40(18-20-41)26-11-7-8-12-27(26)42-4)39-30(38-28)43-21-22-9-5-6-10-25(22)32(33,34)35/h5-16H,17-21H2,1-4H3,(H,36,37,38,39)
• InChIKey: DTNACDCKNHQGDU-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 75.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.67
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine?

The IUPAC name of N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine (CID 11721293) is N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine is COc1ccccc1N1CCN(c2nc(Nc3ccc(C(C)(C)C)cc3)nc(OCc3ccccc3C(F)(F)F)n2)CC1.

What is the InChIKey of N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine?

The InChIKey is DTNACDCKNHQGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O2/c1-31(2,3)23-13-15-24(16-14-23)36-28-37-29(41-19-17-40(18-20-41)26-11-7-8-12-27(26)42-4)39-30(38-28)43-21-22-9-5-6-10-25(22)32(33,34)35/h5-16H,17-21H2,1-4H3,(H,36,37,38,39).

What are the key properties of N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine?

N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine has a molecular weight of 592.67 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[[2-(trifluoromethyl)phenyl]methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11721293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).