4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one

C10H9N3O2S2 — CID 135519210

IUPAC4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2cccs2)n1
InChIInChI=1S/C10H9N3O2S2/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15)
InChIKeyCLWPMENKFQZIME-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.39
Rot. Bonds4

About 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one

4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 135519210) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID135519210
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCC(=O)c2cccs2)n1
InChIInChI=1S/C10H9N3O2S2/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15)
InChIKeyCLWPMENKFQZIME-UHFFFAOYSA-N
XLogP1.39
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-(2-oxo-2-thiophen-2-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 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 135519210) is 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCC(=O)c2cccs2)n1.
What is the InChIKey of 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is CLWPMENKFQZIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c11-8-4-9(15)13-10(12-8)17-5-6(14)7-2-1-3-16-7/h1-4H,5H2,(H3,11,12,13,15).
What are the key properties of 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one?
4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135519210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).