2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

C14H16N4O2S — CID 42992545

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H16N4O2S/c1-9-6-10(2)17-14(16-9)21-8-12(19)18-11-4-5-13(20-3)15-7-11/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyAGNFUEJDHPXCJQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.23
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 42992545) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID42992545
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H16N4O2S/c1-9-6-10(2)17-14(16-9)21-8-12(19)18-11-4-5-13(20-3)15-7-11/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyAGNFUEJDHPXCJQ-UHFFFAOYSA-N
XLogP2.23
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)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-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide (CID 42992545) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cn1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is AGNFUEJDHPXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-6-10(2)17-14(16-9)21-8-12(19)18-11-4-5-13(20-3)15-7-11/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 304.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 42992545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).