2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C11H11N3O2S — CID 70623467

IUPAC2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C11H11N3O2S/c1-2-8-6(3-4-17-8)10-13-5-7(9(12)15)11(16)14-10/h3-5H,2H2,1H3,(H2,12,15)(H,13,14,16)
InChIKeyLXKGSOKPLKADFY-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70623467) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70623467
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C11H11N3O2S/c1-2-8-6(3-4-17-8)10-13-5-7(9(12)15)11(16)14-10/h3-5H,2H2,1H3,(H2,12,15)(H,13,14,16)
InChIKeyLXKGSOKPLKADFY-UHFFFAOYSA-N
XLogP1.16
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70623467) is 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is CCc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LXKGSOKPLKADFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-8-6(3-4-17-8)10-13-5-7(9(12)15)11(16)14-10/h3-5H,2H2,1H3,(H2,12,15)(H,13,14,16).
What are the key properties of 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70623467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).