5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione

C12H12N2O3S — CID 60734826

IUPAC5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)s1
InChIInChI=1S/C12H12N2O3S/c1-7-5-14(12(17)13-11(7)16)6-9(15)10-4-3-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,16,17)
InChIKeyGFKXJNLUTWDTOV-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.10
Rot. Bonds3

About 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 60734826) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID60734826
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)s1
InChIInChI=1S/C12H12N2O3S/c1-7-5-14(12(17)13-11(7)16)6-9(15)10-4-3-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,16,17)
InChIKeyGFKXJNLUTWDTOV-UHFFFAOYSA-N
XLogP1.10
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
CID 80581416
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-5-chloropyrimidine-2,4-dione
CID 66424958
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-nitropyrimidine-2,4-dione
CID 63800123
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651413
N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
CID 102250967
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
CID 60734724

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 60734826) is 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccc(C(=O)Cn2cc(C)c(=O)[nH]c2=O)s1.
What is the InChIKey of 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is GFKXJNLUTWDTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-7-5-14(12(17)13-11(7)16)6-9(15)10-4-3-8(2)18-10/h3-5H,6H2,1-2H3,(H,13,16,17).
What are the key properties of 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 264.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60734826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).