2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one

C14H21N3O3S — CID 42739339

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H21N3O3S/c1-9-5-12(18)16(4)14(15-9)21-8-13(19)17-6-10(2)20-11(3)7-17/h5,10-11H,6-8H2,1-4H3
InChIKeyGGQPLCRYSQOZGL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.82
Rot. Bonds3

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one (PubChem CID 42739339) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one
PubChem CID42739339
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(SCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C14H21N3O3S/c1-9-5-12(18)16(4)14(15-9)21-8-13(19)17-6-10(2)20-11(3)7-17/h5,10-11H,6-8H2,1-4H3
InChIKeyGGQPLCRYSQOZGL-UHFFFAOYSA-N
XLogP0.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one (CID 42739339) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(SCC(=O)N2CC(C)OC(C)C2)n1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one?
The InChIKey is GGQPLCRYSQOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-5-12(18)16(4)14(15-9)21-8-13(19)17-6-10(2)20-11(3)7-17/h5,10-11H,6-8H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one has a molecular weight of 311.41 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 42739339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).