5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

C10H10N2O2S — CID 54395692

IUPAC5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cn(Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O2S/c1-7-5-12(10(14)11-9(7)13)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13,14)
InChIKeyVJTKLEVFMNHOJA-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione

5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 54395692) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID54395692
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cn(Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C10H10N2O2S/c1-7-5-12(10(14)11-9(7)13)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13,14)
InChIKeyVJTKLEVFMNHOJA-UHFFFAOYSA-N
XLogP0.95
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione (CID 54395692) is 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is Cc1cn(Cc2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is VJTKLEVFMNHOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-7-5-12(10(14)11-9(7)13)6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H,11,13,14).
What are the key properties of 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione?
5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(thiophen-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54395692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).