4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C16H13F3N4OS — CID 137429827

IUPAC4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11/h1-4,9H,5-8H2
InChIKeyRQPYXJPHEDHFON-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.61
Rot. Bonds2

About 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 137429827) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID137429827
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11/h1-4,9H,5-8H2
InChIKeyRQPYXJPHEDHFON-UHFFFAOYSA-N
XLogP3.61
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 137429827) is 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is FC(F)(F)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is RQPYXJPHEDHFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c17-16(18,19)10-9-25-15-12(10)14(23-5-7-24-8-6-23)21-13(22-15)11-3-1-2-4-20-11/h1-4,9H,5-8H2.
What are the key properties of 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 366.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-2-yl-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 137429827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).