N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

C26H28F5N7 — CID 91246541

About N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 91246541) has the molecular formula C26H28F5N7 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
• PubChem CID: 91246541
• Molecular Formula: C26H28F5N7
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.23
• IUPAC Name: N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
• SMILES: Fc1ccc(Cc2nc(NC3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c(F)c1
• InChI: InChI=1S/C26H28F5N7/c27-18-9-8-17(21(28)16-18)15-22-34-24(33-19-5-2-1-3-6-19)36-25(35-22)38-13-11-37(12-14-38)23-20(26(29,30)31)7-4-10-32-23/h4,7-10,16,19H,1-3,5-6,11-15H2,(H,33,34,35,36)
• InChIKey: DVXFRUDZYMMHCO-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 70.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The IUPAC name of N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 91246541) is N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

What is the SMILES notation for N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The canonical SMILES for N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is Fc1ccc(Cc2nc(NC3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c(F)c1.

What is the InChIKey of N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

The InChIKey is DVXFRUDZYMMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F5N7/c27-18-9-8-17(21(28)16-18)15-22-34-24(33-19-5-2-1-3-6-19)36-25(35-22)38-13-11-37(12-14-38)23-20(26(29,30)31)7-4-10-32-23/h4,7-10,16,19H,1-3,5-6,11-15H2,(H,33,34,35,36).

What are the key properties of N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?

N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 533.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-[(2,4-difluorophenyl)methyl]-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 91246541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).