2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C10H13N3O2S — CID 135471487

IUPAC2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESC=CCc1c(C)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C10H13N3O2S/c1-3-4-7-6(2)12-10(13-9(7)15)16-5-8(11)14/h3H,1,4-5H2,2H3,(H2,11,14)(H,12,13,15)
InChIKeySKABYHLJVHCVJT-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.38
Rot. Bonds5

About 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135471487) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135471487
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESC=CCc1c(C)nc(SCC(N)=O)[nH]c1=O
InChIInChI=1S/C10H13N3O2S/c1-3-4-7-6(2)12-10(13-9(7)15)16-5-8(11)14/h3H,1,4-5H2,2H3,(H2,11,14)(H,12,13,15)
InChIKeySKABYHLJVHCVJT-UHFFFAOYSA-N
XLogP0.38
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide 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-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135471487) is 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is C=CCc1c(C)nc(SCC(N)=O)[nH]c1=O.
What is the InChIKey of 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SKABYHLJVHCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-4-7-6(2)12-10(13-9(7)15)16-5-8(11)14/h3H,1,4-5H2,2H3,(H2,11,14)(H,12,13,15).
What are the key properties of 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 239.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135471487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).