N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

C23H30F3N5 — CID 10765237

IUPACN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)c1
InChIInChI=1S/C23H30F3N5/c24-23(25,26)19-3-1-4-21(17-19)31-15-13-30(14-16-31)12-9-18-5-7-20(8-6-18)29-22-27-10-2-11-28-22/h1-4,10-11,17-18,20H,5-9,12-16H2,(H,27,28,29)
InChIKeyCHELUMIQBPPRGN-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.68
Rot. Bonds6

About N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10765237) has the molecular formula C23H30F3N5 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10765237
Molecular FormulaC23H30F3N5
Molecular Weight433.52 g/mol
Exact Mass433.25
IUPAC NameN-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)c1
InChIInChI=1S/C23H30F3N5/c24-23(25,26)19-3-1-4-21(17-19)31-15-13-30(14-16-31)12-9-18-5-7-20(8-6-18)29-22-27-10-2-11-28-22/h1-4,10-11,17-18,20H,5-9,12-16H2,(H,27,28,29)
InChIKeyCHELUMIQBPPRGN-UHFFFAOYSA-N
XLogP4.68
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (CID 10765237) is N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is FC(F)(F)c1cccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)c1.
What is the InChIKey of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is CHELUMIQBPPRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5/c24-23(25,26)19-3-1-4-21(17-19)31-15-13-30(14-16-31)12-9-18-5-7-20(8-6-18)29-22-27-10-2-11-28-22/h1-4,10-11,17-18,20H,5-9,12-16H2,(H,27,28,29).
What are the key properties of N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 433.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10765237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).