4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C11H14F3N3O3S — CID 110258062

IUPAC4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)(F)F)nc(C2COCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H14F3N3O3S/c1-7-5-9(11(12,13)14)16-10(15-7)8-6-20-4-3-17(8)21(2,18)19/h5,8H,3-4,6H2,1-2H3
InChIKeyQOZRNPPZPZALQW-UHFFFAOYSA-N
MW325.31 g/mol
LogP1.14
Rot. Bonds2

About 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 110258062) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID110258062
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)(F)F)nc(C2COCCN2S(C)(=O)=O)n1
InChIInChI=1S/C11H14F3N3O3S/c1-7-5-9(11(12,13)14)16-10(15-7)8-6-20-4-3-17(8)21(2,18)19/h5,8H,3-4,6H2,1-2H3
InChIKeyQOZRNPPZPZALQW-UHFFFAOYSA-N
XLogP1.14
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 110258062) is 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is Cc1cc(C(F)(F)F)nc(C2COCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is QOZRNPPZPZALQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-7-5-9(11(12,13)14)16-10(15-7)8-6-20-4-3-17(8)21(2,18)19/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 325.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 110258062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).