1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione

C13H16N2O2S — CID 58994182

IUPAC1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione
SMILESCCCCn1cc(-c2sccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N2O2S/c1-3-4-6-15-8-10(12(16)14-13(15)17)11-9(2)5-7-18-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyDOUOIOGAHVMZCE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.37
Rot. Bonds4

About 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione

1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione (PubChem CID 58994182) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione
PubChem CID58994182
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione
SMILESCCCCn1cc(-c2sccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C13H16N2O2S/c1-3-4-6-15-8-10(12(16)14-13(15)17)11-9(2)5-7-18-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyDOUOIOGAHVMZCE-UHFFFAOYSA-N
XLogP2.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione (CID 58994182) is 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione is CCCCn1cc(-c2sccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione?
The InChIKey is DOUOIOGAHVMZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-4-6-15-8-10(12(16)14-13(15)17)11-9(2)5-7-18-11/h5,7-8H,3-4,6H2,1-2H3,(H,14,16,17).
What are the key properties of 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione?
1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione has a molecular weight of 264.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(3-methylthiophen-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 58994182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).