4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine

C18H15F3N4OS — CID 133363456

IUPAC4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
SMILESFC(F)(F)c1cc(N2CCOC(c3cccs3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)15-10-16(24-17(23-15)12-3-5-22-6-4-12)25-7-8-26-13(11-25)14-2-1-9-27-14/h1-6,9-10,13H,7-8,11H2
InChIKeyIIXGWAAUMSJOKL-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.20
Rot. Bonds3

About 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine

4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine (PubChem CID 133363456) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine.

Molecular Properties

Compound Name4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
PubChem CID133363456
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
SMILESFC(F)(F)c1cc(N2CCOC(c3cccs3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H15F3N4OS/c19-18(20,21)15-10-16(24-17(23-15)12-3-5-22-6-4-12)25-7-8-26-13(11-25)14-2-1-9-27-14/h1-6,9-10,13H,7-8,11H2
InChIKeyIIXGWAAUMSJOKL-UHFFFAOYSA-N
XLogP4.20
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-(2-Methoxypropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 53350231
6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-2-ylpyrimidin-4-ylamine
CID 44423531
6-(6-Morpholin-4-ylpyridin-3-ylethynyl)-5-thiophen-3-ylpyrimidin-4-ylamine
CID 44423532
4-(4-Pyridin-4-yl-6-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 44390935
2-Methyl-4-[4-(3-pyridinylmethoxy)-1-piperidinyl]thieno[2,3-d]pyrimidine
CID 70738861
4-(5-Fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 119052291
5-fluoro-2-(pyridin-4-ylmethoxy)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 57818566
5-Fluoro-2-[(5-pyridin-2-ylthiophen-2-yl)methoxy]pyrimidin-4-amine
CID 57818592
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-[4-[2-(diethylamino)ethyl]thiophen-2-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 68111026
1-[2-(6-Fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235097
1-[2-(2-Fluoro-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235099
4-[2-Pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 137429827

Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine?
The IUPAC name of 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine (CID 133363456) is 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine.
What is the SMILES notation for 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine?
The canonical SMILES for 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine is FC(F)(F)c1cc(N2CCOC(c3cccs3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine?
The InChIKey is IIXGWAAUMSJOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c19-18(20,21)15-10-16(24-17(23-15)12-3-5-22-6-4-12)25-7-8-26-13(11-25)14-2-1-9-27-14/h1-6,9-10,13H,7-8,11H2.
What are the key properties of 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine?
4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine has a molecular weight of 392.41 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine is sourced from PubChem (CID 133363456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).