2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

C13H12F3N3OS — CID 133363523

IUPAC2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)11-3-4-17-12(18-11)19-5-6-20-9(8-19)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2
InChIKeyKBMOESXHMANOMR-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.13
Rot. Bonds2

About 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine

2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 133363523) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID133363523
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESFC(F)(F)c1ccnc(N2CCOC(c3cccs3)C2)n1
InChIInChI=1S/C13H12F3N3OS/c14-13(15,16)11-3-4-17-12(18-11)19-5-6-20-9(8-19)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2
InChIKeyKBMOESXHMANOMR-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 133363523) is 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is FC(F)(F)c1ccnc(N2CCOC(c3cccs3)C2)n1.
What is the InChIKey of 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is KBMOESXHMANOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c14-13(15,16)11-3-4-17-12(18-11)19-5-6-20-9(8-19)10-2-1-7-21-10/h1-4,7,9H,5-6,8H2.
What are the key properties of 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine?
2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 315.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 133363523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).