4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine

C11H16FN3O3S — CID 145100395

IUPAC4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)S(C)(=O)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16FN3O3S/c1-8-7-9(10(12)19(2,16)17)14-11(13-8)15-3-5-18-6-4-15/h7,10H,3-6H2,1-2H3
InChIKeyXOUSXWNFCQWAHH-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.63
Rot. Bonds3

About 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine

4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine (PubChem CID 145100395) has the molecular formula C11H16FN3O3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine
PubChem CID145100395
Molecular FormulaC11H16FN3O3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine
SMILESCc1cc(C(F)S(C)(=O)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16FN3O3S/c1-8-7-9(10(12)19(2,16)17)14-11(13-8)15-3-5-18-6-4-15/h7,10H,3-6H2,1-2H3
InChIKeyXOUSXWNFCQWAHH-UHFFFAOYSA-N
XLogP0.63
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-Dimethylpyrimidin-2-yl)morpholine
CID 676802
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Morpholine, 4-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
CID 3021602
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
CID 16644560
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
4-Methylsulfonyl-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 110258062
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
CID 591014
(R)-4-(2-chloro-6-(methylthiomethyl)pyrimidin-4-yl)-3-methylmorpholine
CID 86660210
(R)-4-(2-chloro-6-(((R)-methylsulfinyl)methyl)pyrimidin-4-yl)-3-methylmorpholine
CID 86660212
4-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 4141377

Frequently Asked Questions

What is the IUPAC name of 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine (CID 145100395) is 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine is Cc1cc(C(F)S(C)(=O)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine?
The InChIKey is XOUSXWNFCQWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S/c1-8-7-9(10(12)19(2,16)17)14-11(13-8)15-3-5-18-6-4-15/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine?
4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine has a molecular weight of 289.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 145100395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).