2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one

C15H23N3O3S — CID 135760337

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CC(C)OC(C)C2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-5-12-11(4)16-15(17-14(12)20)22-8-13(19)18-6-9(2)21-10(3)7-18/h9-10H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyRCEABHSWJUPEPY-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.37
Rot. Bonds4

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135760337) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135760337
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CC(C)OC(C)C2)[nH]c1=O
InChIInChI=1S/C15H23N3O3S/c1-5-12-11(4)16-15(17-14(12)20)22-8-13(19)18-6-9(2)21-10(3)7-18/h9-10H,5-8H2,1-4H3,(H,16,17,20)
InChIKeyRCEABHSWJUPEPY-UHFFFAOYSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135760337) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(SCC(=O)N2CC(C)OC(C)C2)[nH]c1=O.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RCEABHSWJUPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-5-12-11(4)16-15(17-14(12)20)22-8-13(19)18-6-9(2)21-10(3)7-18/h9-10H,5-8H2,1-4H3,(H,16,17,20).
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 325.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135760337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).