4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

C13H16N2O3S — CID 146081610

IUPAC4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOCCOCc1cc(=O)[nH]c(Cc2cccs2)n1
InChIInChI=1S/C13H16N2O3S/c1-17-4-5-18-9-10-7-13(16)15-12(14-10)8-11-3-2-6-19-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16)
InChIKeyFDLCEMIYLOYGDT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.59
Rot. Bonds7

About 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 146081610) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID146081610
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOCCOCc1cc(=O)[nH]c(Cc2cccs2)n1
InChIInChI=1S/C13H16N2O3S/c1-17-4-5-18-9-10-7-13(16)15-12(14-10)8-11-3-2-6-19-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16)
InChIKeyFDLCEMIYLOYGDT-UHFFFAOYSA-N
XLogP1.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (CID 146081610) is 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is COCCOCc1cc(=O)[nH]c(Cc2cccs2)n1.
What is the InChIKey of 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is FDLCEMIYLOYGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-4-5-18-9-10-7-13(16)15-12(14-10)8-11-3-2-6-19-11/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15,16).
What are the key properties of 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 280.35 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 146081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).