2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C12H13N3O4S — CID 106436139

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)c1ccsc1
InChIInChI=1S/C12H13N3O4S/c16-9(7-1-2-20-6-7)5-13-10(17)3-8-4-11(18)15-12(19)14-8/h1-2,4,6,9,16H,3,5H2,(H,13,17)(H2,14,15,18,19)
InChIKeyGACVIGPBIMASIU-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.48
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 106436139) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID106436139
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)c1ccsc1
InChIInChI=1S/C12H13N3O4S/c16-9(7-1-2-20-6-7)5-13-10(17)3-8-4-11(18)15-12(19)14-8/h1-2,4,6,9,16H,3,5H2,(H,13,17)(H2,14,15,18,19)
InChIKeyGACVIGPBIMASIU-UHFFFAOYSA-N
XLogP-0.48
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106434312
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 106436139) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(O)c1ccsc1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is GACVIGPBIMASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-9(7-1-2-20-6-7)5-13-10(17)3-8-4-11(18)15-12(19)14-8/h1-2,4,6,9,16H,3,5H2,(H,13,17)(H2,14,15,18,19).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 295.32 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 106436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).