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

C14H22N4O2S — CID 2083120

IUPACN-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NC(C)(C)C)nc(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-8-9(2)15-13(16-10(8)3)21-7-11(19)17-12(20)18-14(4,5)6/h7H2,1-6H3,(H2,17,18,19,20)
InChIKeyGSIMVNYSVDCKOB-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.12
Rot. Bonds3

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

N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2083120) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2083120
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NC(C)(C)C)nc(C)c1C
InChIInChI=1S/C14H22N4O2S/c1-8-9(2)15-13(16-10(8)3)21-7-11(19)17-12(20)18-14(4,5)6/h7H2,1-6H3,(H2,17,18,19,20)
InChIKeyGSIMVNYSVDCKOB-UHFFFAOYSA-N
XLogP2.12
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2083120) is N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)NC(C)(C)C)nc(C)c1C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is GSIMVNYSVDCKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8-9(2)15-13(16-10(8)3)21-7-11(19)17-12(20)18-14(4,5)6/h7H2,1-6H3,(H2,17,18,19,20).
What are the key properties of N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 310.42 g/mol, XLogP of 2.12, 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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2083120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).