2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

C12H19N3OS — CID 695459

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3OS/c1-5-15(6-2)11(16)8-17-12-13-9(3)7-10(4)14-12/h7H,5-6,8H2,1-4H3
InChIKeyPXSZDIQCVDYGOG-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.05
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 695459) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID695459
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C12H19N3OS/c1-5-15(6-2)11(16)8-17-12-13-9(3)7-10(4)14-12/h7H,5-6,8H2,1-4H3
InChIKeyPXSZDIQCVDYGOG-UHFFFAOYSA-N
XLogP2.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide 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,N-diethylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide (CID 695459) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is PXSZDIQCVDYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-5-15(6-2)11(16)8-17-12-13-9(3)7-10(4)14-12/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 695459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).