2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C9H14N2O2S — CID 106477774

IUPAC2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-12-4-3-8-10-7(6-13-2)5-9(14)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,14)
InChIKeyZELATHBBGNKIEO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.47
Rot. Bonds5

About 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477774) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477774
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-12-4-3-8-10-7(6-13-2)5-9(14)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,14)
InChIKeyZELATHBBGNKIEO-UHFFFAOYSA-N
XLogP1.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477774) is 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is ZELATHBBGNKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-12-4-3-8-10-7(6-13-2)5-9(14)11-8/h5H,3-4,6H2,1-2H3,(H,10,11,14).
What are the key properties of 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 214.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).