2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

C9H10N4O3S — CID 9143622

IUPAC2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)N1CCNC1=O
InChIInChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14)
InChIKeyFQNPZJXVGGPOIF-UHFFFAOYSA-N
MW254.27 g/mol
LogP-0.59
Rot. Bonds3

About 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 9143622) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID9143622
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nccc(=O)[nH]1)N1CCNC1=O
InChIInChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14)
InChIKeyFQNPZJXVGGPOIF-UHFFFAOYSA-N
XLogP-0.59
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]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 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (CID 9143622) is 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nccc(=O)[nH]1)N1CCNC1=O.
What is the InChIKey of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is FQNPZJXVGGPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c14-6-1-2-10-8(12-6)17-5-7(15)13-4-3-11-9(13)16/h1-2H,3-5H2,(H,11,16)(H,10,12,14).
What are the key properties of 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 254.27 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 9143622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).