1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione

C12H14N2O4S — CID 159100140

IUPAC1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione
SMILESCc1c(-c2cccs2)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4S/c1-8-10(9-3-2-6-19-9)14(7-18-5-4-15)12(17)13-11(8)16/h2-3,6,15H,4-5,7H2,1H3,(H,13,16,17)
InChIKeyKDEDDZHPJJHRBR-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.54
Rot. Bonds5

About 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione

1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione (PubChem CID 159100140) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione
PubChem CID159100140
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione
SMILESCc1c(-c2cccs2)n(COCCO)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4S/c1-8-10(9-3-2-6-19-9)14(7-18-5-4-15)12(17)13-11(8)16/h2-3,6,15H,4-5,7H2,1H3,(H,13,16,17)
InChIKeyKDEDDZHPJJHRBR-UHFFFAOYSA-N
XLogP0.54
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione (CID 159100140) is 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione is Cc1c(-c2cccs2)n(COCCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione?
The InChIKey is KDEDDZHPJJHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-10(9-3-2-6-19-9)14(7-18-5-4-15)12(17)13-11(8)16/h2-3,6,15H,4-5,7H2,1H3,(H,13,16,17).
What are the key properties of 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione?
1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione has a molecular weight of 282.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-5-methyl-6-thiophen-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 159100140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).