2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide

C6H7N3O2S — CID 7063827

IUPAC2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
SMILESNC(=O)Cc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C6H7N3O2S/c7-4(10)1-3-2-5(11)9-6(12)8-3/h2H,1H2,(H2,7,10)(H2,8,9,11,12)
InChIKeyWYOFCKMXPKSTES-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.54
Rot. Bonds2

About 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide

2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide (PubChem CID 7063827) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
PubChem CID7063827
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC Name2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
SMILESNC(=O)Cc1cc(=O)[nH]c(=S)[nH]1
InChIInChI=1S/C6H7N3O2S/c7-4(10)1-3-2-5(11)9-6(12)8-3/h2H,1H2,(H2,7,10)(H2,8,9,11,12)
InChIKeyWYOFCKMXPKSTES-UHFFFAOYSA-N
XLogP-0.54
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide (CID 7063827) is 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide is NC(=O)Cc1cc(=O)[nH]c(=S)[nH]1.
What is the InChIKey of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
The InChIKey is WYOFCKMXPKSTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-4(10)1-3-2-5(11)9-6(12)8-3/h2H,1H2,(H2,7,10)(H2,8,9,11,12).
What are the key properties of 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide?
2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide has a molecular weight of 185.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 7063827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).