2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone

C12H14F3N3O2S — CID 16644560

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H14F3N3O2S/c1-8-6-9(12(13,14)15)17-11(16-8)21-7-10(19)18-2-4-20-5-3-18/h6H,2-5,7H2,1H3
InChIKeyAQQUGTLDFSBEOV-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.75
Rot. Bonds3

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 16644560) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID16644560
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCc1cc(C(F)(F)F)nc(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H14F3N3O2S/c1-8-6-9(12(13,14)15)17-11(16-8)21-7-10(19)18-2-4-20-5-3-18/h6H,2-5,7H2,1H3
InChIKeyAQQUGTLDFSBEOV-UHFFFAOYSA-N
XLogP1.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
N-Cyclohexyl-2-(4-methyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 2979066
2-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 4335113
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-1-morpholin-4-yl-ethanone
CID 650087
2-(4,6-Dimethylpyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 742074
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615
1-(2,6-Dimethylmorpholin-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 3648655
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Morpholine, 4-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
CID 3021602

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone (CID 16644560) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone is Cc1cc(C(F)(F)F)nc(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is AQQUGTLDFSBEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-8-6-9(12(13,14)15)17-11(16-8)21-7-10(19)18-2-4-20-5-3-18/h6H,2-5,7H2,1H3.
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 321.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 16644560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).