2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C12H15N5OS2 — CID 40517895

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)NCCc2cccs2)n1
InChIInChI=1S/C12H15N5OS2/c13-9-6-10(14)17-12(16-9)20-7-11(18)15-4-3-8-2-1-5-19-8/h1-2,5-6H,3-4,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyFEKWJQHMMSQRAB-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.15
Rot. Bonds6

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 40517895) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID40517895
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESNc1cc(N)nc(SCC(=O)NCCc2cccs2)n1
InChIInChI=1S/C12H15N5OS2/c13-9-6-10(14)17-12(16-9)20-7-11(18)15-4-3-8-2-1-5-19-8/h1-2,5-6H,3-4,7H2,(H,15,18)(H4,13,14,16,17)
InChIKeyFEKWJQHMMSQRAB-UHFFFAOYSA-N
XLogP1.15
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 7604132
2-(4-amino-2-fluorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 43303565
N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 60704992
N-[2-(3-chlorophenyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 8806652
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 27268140
N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8806674
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 16600197
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 40517895) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is Nc1cc(N)nc(SCC(=O)NCCc2cccs2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is FEKWJQHMMSQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c13-9-6-10(14)17-12(16-9)20-7-11(18)15-4-3-8-2-1-5-19-8/h1-2,5-6H,3-4,7H2,(H,15,18)(H4,13,14,16,17).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 40517895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).