4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

C10H12F3N3OS — CID 1484750

IUPAC4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCSc1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3OS/c1-18-9-14-7(10(11,12)13)6-8(15-9)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChIKeyOLIOQPLHUFFZDJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.05
Rot. Bonds2

About 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 1484750) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID1484750
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCSc1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3OS/c1-18-9-14-7(10(11,12)13)6-8(15-9)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChIKeyOLIOQPLHUFFZDJ-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 1484750) is 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is CSc1nc(N2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is OLIOQPLHUFFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-18-9-14-7(10(11,12)13)6-8(15-9)16-2-4-17-5-3-16/h6H,2-5H2,1H3.
What are the key properties of 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 279.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).