N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C11H16N4O2S — CID 2403031

IUPACN-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C11H16N4O2S/c1-11(2,3)15-9(17)14-8(16)7-18-10-12-5-4-6-13-10/h4-6H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUDGXPGHGTXYMGD-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.19
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2403031) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2403031
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C11H16N4O2S/c1-11(2,3)15-9(17)14-8(16)7-18-10-12-5-4-6-13-10/h4-6H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyUDGXPGHGTXYMGD-UHFFFAOYSA-N
XLogP1.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide 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 N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2403031) is N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)(C)NC(=O)NC(=O)CSc1ncccn1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is UDGXPGHGTXYMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-11(2,3)15-9(17)14-8(16)7-18-10-12-5-4-6-13-10/h4-6H,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 268.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2403031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).