2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C13H15N3O2S — CID 588017

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-10(2)16-13(15-9)19-8-12(17)14-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyKUWQHFNIKUBNCW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.09
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 588017) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID588017
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCc2ccco2)n1
InChIInChI=1S/C13H15N3O2S/c1-9-6-10(2)16-13(15-9)19-8-12(17)14-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeyKUWQHFNIKUBNCW-UHFFFAOYSA-N
XLogP2.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 588017) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1cc(C)nc(SCC(=O)NCc2ccco2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KUWQHFNIKUBNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-10(2)16-13(15-9)19-8-12(17)14-7-11-4-3-5-18-11/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 588017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).