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

C10H16N2OS — CID 106477020

IUPAC5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCOC)nc1=S
InChIInChI=1S/C10H16N2OS/c1-4-8-7(2)11-9(5-6-13-3)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyKNQAZAXQHMUEFZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.20
Rot. Bonds4

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

5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477020) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477020
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(CCOC)nc1=S
InChIInChI=1S/C10H16N2OS/c1-4-8-7(2)11-9(5-6-13-3)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14)
InChIKeyKNQAZAXQHMUEFZ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476868
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476869
6-methyl-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106477880
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477881
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478130
6-ethyl-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839342
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2-(2-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475178
2-(2-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475241

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione (CID 106477020) is 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(CCOC)nc1=S.
What is the InChIKey of 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is KNQAZAXQHMUEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-8-7(2)11-9(5-6-13-3)12-10(8)14/h4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(2-methoxyethyl)-6-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 5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).