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

C10H12F3N3O2S — CID 134202136

IUPAC4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)c1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2S/c1-19(17)9-14-7(10(11,12)13)6-8(15-9)16-2-4-18-5-3-16/h6H,2-5H2,1H3
InChIKeyIYEAWTMTSXGPKV-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.07
Rot. Bonds2

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

4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 134202136) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID134202136
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESCS(=O)c1nc(N2CCOCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2S/c1-19(17)9-14-7(10(11,12)13)6-8(15-9)16-2-4-18-5-3-16/h6H,2-5H2,1H3
InChIKeyIYEAWTMTSXGPKV-UHFFFAOYSA-N
XLogP1.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.07
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
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
4-(6-Methyl-2-propylpyrimidin-4-yl)morpholine
CID 6461489
N-[[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl-methyl-oxo-lambda6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 138966363
4-[6-Methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
CID 3157868
(R)-4-(2-chloro-6-(((R)-methylsulfinyl)methyl)pyrimidin-4-yl)-3-methylmorpholine
CID 86660212
4-[2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinyl]morpholine
CID 1484750
4-[6-Methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidin-4-yl]morpholine
CID 58641821
4-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 83398233
N-[({2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methyl)(methyl)oxido-lambda6-sulfanylidene]-2,2,2-trifluoroacetamide
CID 86660215
4-(2,2-Dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564196

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 134202136) is 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is CS(=O)c1nc(N2CCOCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is IYEAWTMTSXGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-19(17)9-14-7(10(11,12)13)6-8(15-9)16-2-4-18-5-3-16/h6H,2-5H2,1H3.
What are the key properties of 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 295.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylsulfinyl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 134202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).