2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione

C11H18N2OS — CID 106475129

IUPAC2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C(C)OCC)[nH]1
InChIInChI=1S/C11H18N2OS/c1-4-6-9-7-10(15)13-11(12-9)8(3)14-5-2/h7-8H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyUBZSTKPLNGTGPJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione

2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475129) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475129
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C(C)OCC)[nH]1
InChIInChI=1S/C11H18N2OS/c1-4-6-9-7-10(15)13-11(12-9)8(3)14-5-2/h7-8H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyUBZSTKPLNGTGPJ-UHFFFAOYSA-N
XLogP3.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475129) is 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C(C)OCC)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is UBZSTKPLNGTGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-6-9-7-10(15)13-11(12-9)8(3)14-5-2/h7-8H,4-6H2,1-3H3,(H,12,13,15).
What are the key properties of 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione?
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 226.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).