2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide

C10H13N3O2S — CID 974720

IUPAC2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(N)=O)nc(C)cc1=O
InChIInChI=1S/C10H13N3O2S/c1-3-4-13-9(15)5-7(2)12-10(13)16-6-8(11)14/h3,5H,1,4,6H2,2H3,(H2,11,14)
InChIKeyRUHXPLKBZBRBHL-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.32
Rot. Bonds5

About 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide

2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 974720) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
PubChem CID974720
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
SMILESC=CCn1c(SCC(N)=O)nc(C)cc1=O
InChIInChI=1S/C10H13N3O2S/c1-3-4-13-9(15)5-7(2)12-10(13)16-6-8(11)14/h3,5H,1,4,6H2,2H3,(H2,11,14)
InChIKeyRUHXPLKBZBRBHL-UHFFFAOYSA-N
XLogP0.32
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide (CID 974720) is 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide is C=CCn1c(SCC(N)=O)nc(C)cc1=O.
What is the InChIKey of 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is RUHXPLKBZBRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-4-13-9(15)5-7(2)12-10(13)16-6-8(11)14/h3,5H,1,4,6H2,2H3,(H2,11,14).
What are the key properties of 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide?
2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 239.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 974720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).