N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C13H20N4O3S — CID 2472630

IUPACN-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C13H20N4O3S/c1-8-9(2)15-13(16-10(8)3)21-7-11(18)17-12(19)14-5-6-20-4/h5-7H2,1-4H3,(H2,14,17,18,19)
InChIKeyCIIRMKJIJKLRAK-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.97
Rot. Bonds6

About N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2472630) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2472630
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C13H20N4O3S/c1-8-9(2)15-13(16-10(8)3)21-7-11(18)17-12(19)14-5-6-20-4/h5-7H2,1-4H3,(H2,14,17,18,19)
InChIKeyCIIRMKJIJKLRAK-UHFFFAOYSA-N
XLogP0.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2078211
N-(propan-2-ylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2449001
N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2442329
N-(oxolan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3936923
N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083120
1-(2,6-Dimethylmorpholin-4-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 3648655
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8354801
N-(2,2,2-trifluoroethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8735031
N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083398
N-(cyclohexylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2125123
N-prop-2-enyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 4787662
1-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]imidazolidin-2-one
CID 8354834

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2472630) is N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is COCCNC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CIIRMKJIJKLRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8-9(2)15-13(16-10(8)3)21-7-11(18)17-12(19)14-5-6-20-4/h5-7H2,1-4H3,(H2,14,17,18,19).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 312.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2472630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).