2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C7H9N3OS — CID 863173

IUPAC2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(N)=O)n1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-9-7(10-5)12-4-6(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyDUOJRBRFWMBOOS-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.36
Rot. Bonds3

About 2-(4-methylpyrimidin-2-yl)sulfanylacetamide

2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 863173) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID863173
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(N)=O)n1
InChIInChI=1S/C7H9N3OS/c1-5-2-3-9-7(10-5)12-4-6(8)11/h2-3H,4H2,1H3,(H2,8,11)
InChIKeyDUOJRBRFWMBOOS-UHFFFAOYSA-N
XLogP0.36
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 863173) is 2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(N)=O)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is DUOJRBRFWMBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-5-2-3-9-7(10-5)12-4-6(8)11/h2-3H,4H2,1H3,(H2,8,11).
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 183.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 863173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).