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

C12H19N3O3S — CID 69292142

IUPAC4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine
SMILESCCS(=O)(=O)c1nc(C)cc(CN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c1-3-19(16,17)12-13-10(2)8-11(14-12)9-15-4-6-18-7-5-15/h8H,3-7,9H2,1-2H3
InChIKeyQLSBKEGCBDEYIL-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.41
Rot. Bonds4

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

4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine (PubChem CID 69292142) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine
PubChem CID69292142
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine
SMILESCCS(=O)(=O)c1nc(C)cc(CN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c1-3-19(16,17)12-13-10(2)8-11(14-12)9-15-4-6-18-7-5-15/h8H,3-7,9H2,1-2H3
InChIKeyQLSBKEGCBDEYIL-UHFFFAOYSA-N
XLogP0.41
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine (CID 69292142) is 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine is CCS(=O)(=O)c1nc(C)cc(CN2CCOCC2)n1.
What is the InChIKey of 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine?
The InChIKey is QLSBKEGCBDEYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-19(16,17)12-13-10(2)8-11(14-12)9-15-4-6-18-7-5-15/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine?
4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine has a molecular weight of 285.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylsulfonyl-6-methylpyrimidin-4-yl)methyl]morpholine is sourced from PubChem (CID 69292142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).