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

C9H14N2O2S — CID 106477736

IUPAC2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-3-13-6-8-10-7(5-12-2)4-9(14)11-8/h4H,3,5-6H2,1-2H3,(H,10,11,14)
InChIKeyBXEXNVHMMMOUEU-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.82
Rot. Bonds5

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

2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477736) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477736
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-3-13-6-8-10-7(5-12-2)4-9(14)11-8/h4H,3,5-6H2,1-2H3,(H,10,11,14)
InChIKeyBXEXNVHMMMOUEU-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477736) is 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is BXEXNVHMMMOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-13-6-8-10-7(5-12-2)4-9(14)11-8/h4H,3,5-6H2,1-2H3,(H,10,11,14).
What are the key properties of 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 214.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).