5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione

C11H12N2OS — CID 106476851

IUPAC5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(-c2ccoc2)nc1=S
InChIInChI=1S/C11H12N2OS/c1-3-9-7(2)12-10(13-11(9)15)8-4-5-14-6-8/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyZIAHWDZHLDJDOO-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.27
Rot. Bonds2

About 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione

5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476851) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476851
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(-c2ccoc2)nc1=S
InChIInChI=1S/C11H12N2OS/c1-3-9-7(2)12-10(13-11(9)15)8-4-5-14-6-8/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyZIAHWDZHLDJDOO-UHFFFAOYSA-N
XLogP3.27
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.27
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 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione (CID 106476851) is 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(-c2ccoc2)nc1=S.
What is the InChIKey of 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZIAHWDZHLDJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-9-7(2)12-10(13-11(9)15)8-4-5-14-6-8/h4-6H,3H2,1-2H3,(H,12,13,15).
What are the key properties of 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 220.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).