2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide

C12H13N5OS — CID 672416

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C12H13N5OS/c1-8-6-9(2)16-12(15-8)19-7-10(18)17-11-13-4-3-5-14-11/h3-6H,7H2,1-2H3,(H,13,14,17,18)
InChIKeyRONICPCAMAOOKO-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.61
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (PubChem CID 672416) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
PubChem CID672416
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C12H13N5OS/c1-8-6-9(2)16-12(15-8)19-7-10(18)17-11-13-4-3-5-14-11/h3-6H,7H2,1-2H3,(H,13,14,17,18)
InChIKeyRONICPCAMAOOKO-UHFFFAOYSA-N
XLogP1.61
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide 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-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide (CID 672416) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ncccn2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
The InChIKey is RONICPCAMAOOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8-6-9(2)16-12(15-8)19-7-10(18)17-11-13-4-3-5-14-11/h3-6H,7H2,1-2H3,(H,13,14,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide has a molecular weight of 275.34 g/mol, XLogP of 1.61, 4 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-pyrimidin-2-ylacetamide is sourced from PubChem (CID 672416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).