4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H24F3N5O — CID 154580986

IUPAC4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-4-2-1-3-16(17)14-26-5-7-27(8-6-26)18-13-19(25-15-24-18)28-9-11-29-12-10-28/h1-4,13,15H,5-12,14H2
InChIKeyPCLQZNAQNQLGSW-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.65
Rot. Bonds4

About 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 154580986) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID154580986
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1ccccc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-4-2-1-3-16(17)14-26-5-7-27(8-6-26)18-13-19(25-15-24-18)28-9-11-29-12-10-28/h1-4,13,15H,5-12,14H2
InChIKeyPCLQZNAQNQLGSW-UHFFFAOYSA-N
XLogP2.65
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 154580986) is 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is FC(F)(F)c1ccccc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is PCLQZNAQNQLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c21-20(22,23)17-4-2-1-3-16(17)14-26-5-7-27(8-6-26)18-13-19(25-15-24-18)28-9-11-29-12-10-28/h1-4,13,15H,5-12,14H2.
What are the key properties of 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 407.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 154580986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).