4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine

C20H24F3N5O — CID 133321690

IUPAC4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1cc(N2CCCCC2CN2CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-13-18(26-19(25-17)15-4-6-24-7-5-15)28-8-2-1-3-16(28)14-27-9-11-29-12-10-27/h4-7,13,16H,1-3,8-12,14H2
InChIKeyFACBSDNOULCLMF-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.25
Rot. Bonds4

About 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine

4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine (PubChem CID 133321690) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine
PubChem CID133321690
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1cc(N2CCCCC2CN2CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H24F3N5O/c21-20(22,23)17-13-18(26-19(25-17)15-4-6-24-7-5-15)28-8-2-1-3-16(28)14-27-9-11-29-12-10-27/h4-7,13,16H,1-3,8-12,14H2
InChIKeyFACBSDNOULCLMF-UHFFFAOYSA-N
XLogP3.25
TPSA54.38 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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine (CID 133321690) is 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine is FC(F)(F)c1cc(N2CCCCC2CN2CCOCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine?
The InChIKey is FACBSDNOULCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c21-20(22,23)17-13-18(26-19(25-17)15-4-6-24-7-5-15)28-8-2-1-3-16(28)14-27-9-11-29-12-10-27/h4-7,13,16H,1-3,8-12,14H2.
What are the key properties of 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine?
4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine has a molecular weight of 407.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 133321690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).