6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione

C10H16N2OS — CID 106478279

IUPAC6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(CCOC)nc(=S)c1C
InChIInChI=1S/C10H16N2OS/c1-4-8-7(2)10(14)12-9(11-8)5-6-13-3/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyIENLDFVMEQJXKW-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.20
Rot. Bonds4

About 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione

6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106478279) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID106478279
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(CCOC)nc(=S)c1C
InChIInChI=1S/C10H16N2OS/c1-4-8-7(2)10(14)12-9(11-8)5-6-13-3/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyIENLDFVMEQJXKW-UHFFFAOYSA-N
XLogP2.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.20
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 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione (CID 106478279) is 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione is CCc1[nH]c(CCOC)nc(=S)c1C.
What is the InChIKey of 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is IENLDFVMEQJXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-8-7(2)10(14)12-9(11-8)5-6-13-3/h4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione?
6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-methoxyethyl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).