N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine

C23H24ClF3N8O — CID 11497292

IUPACN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccnc1N1CCN(c2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H24ClF3N8O/c24-16-3-1-4-17(15-16)29-20-30-21(32-22(31-20)35-11-13-36-14-12-35)34-9-7-33(8-10-34)19-18(23(25,26)27)5-2-6-28-19/h1-6,15H,7-14H2,(H,29,30,31,32)
InChIKeyXADZDRIJKNDHJX-UHFFFAOYSA-N
MW520.95 g/mol
LogP3.85
Rot. Bonds5

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

N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 11497292) has the molecular formula C23H24ClF3N8O and a molecular weight of 520.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID11497292
Molecular FormulaC23H24ClF3N8O
Molecular Weight520.95 g/mol
Exact Mass520.17
IUPAC NameN-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccnc1N1CCN(c2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H24ClF3N8O/c24-16-3-1-4-17(15-16)29-20-30-21(32-22(31-20)35-11-13-36-14-12-35)34-9-7-33(8-10-34)19-18(23(25,26)27)5-2-6-28-19/h1-6,15H,7-14H2,(H,29,30,31,32)
InChIKeyXADZDRIJKNDHJX-UHFFFAOYSA-N
XLogP3.85
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine (CID 11497292) is N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is FC(F)(F)c1cccnc1N1CCN(c2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is XADZDRIJKNDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N8O/c24-16-3-1-4-17(15-16)29-20-30-21(32-22(31-20)35-11-13-36-14-12-35)34-9-7-33(8-10-34)19-18(23(25,26)27)5-2-6-28-19/h1-6,15H,7-14H2,(H,29,30,31,32).
What are the key properties of N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine?
N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 520.95 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11497292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).