4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine

C13H21N3O3S — CID 147484596

IUPAC4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C13H21N3O3S/c1-10-14-11(13(2,3)20(4,17)18)9-12(15-10)16-5-7-19-8-6-16/h9H,5-8H2,1-4H3
InChIKeyFEIBXQFRSZUXQZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds3

About 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine

4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (PubChem CID 147484596) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
PubChem CID147484596
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C13H21N3O3S/c1-10-14-11(13(2,3)20(4,17)18)9-12(15-10)16-5-7-19-8-6-16/h9H,5-8H2,1-4H3
InChIKeyFEIBXQFRSZUXQZ-UHFFFAOYSA-N
XLogP0.90
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 122340961
4-[2-chloro-6-(2-cyclohexylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine
CID 163901660
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 46268045
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
[4-[4-(2-methylsulfonylsulfonylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamic acid
CID 68978963
1-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 57427723
imino-methyl-[2-[6-[(3R)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-yl]-oxo-λ6-sulfane
CID 166756320
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine (CID 147484596) is 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
The InChIKey is FEIBXQFRSZUXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-14-11(13(2,3)20(4,17)18)9-12(15-10)16-5-7-19-8-6-16/h9H,5-8H2,1-4H3.
What are the key properties of 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine?
4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine has a molecular weight of 299.40 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 147484596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).