5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C12H17N3O3S — CID 5056461

IUPAC5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCC(=O)N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H17N3O3S/c1-2-8-10(17)13-12(14-11(8)18)19-7-9(16)15-5-3-4-6-15/h2-7H2,1H3,(H2,13,14,17,18)
InChIKeyLFIZCCREOAGBJA-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.75
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 5056461) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID5056461
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(SCC(=O)N2CCCC2)[nH]c1=O
InChIInChI=1S/C12H17N3O3S/c1-2-8-10(17)13-12(14-11(8)18)19-7-9(16)15-5-3-4-6-15/h2-7H2,1H3,(H2,13,14,17,18)
InChIKeyLFIZCCREOAGBJA-UHFFFAOYSA-N
XLogP0.75
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 5056461) is 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is CCc1c(O)nc(SCC(=O)N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is LFIZCCREOAGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-8-10(17)13-12(14-11(8)18)19-7-9(16)15-5-3-4-6-15/h2-7H2,1H3,(H2,13,14,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 5056461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).