2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione

C16H20N2OS — CID 106523150

IUPAC2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C16H20N2OS/c1-6-13-17-14(11(4)16(20)18-13)12-8-7-9(2)10(3)15(12)19-5/h7-8H,6H2,1-5H3,(H,17,18,20)
InChIKeyOOCPTXAUBLYLDK-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.30
Rot. Bonds3

About 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione

2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106523150) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID106523150
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C16H20N2OS/c1-6-13-17-14(11(4)16(20)18-13)12-8-7-9(2)10(3)15(12)19-5/h7-8H,6H2,1-5H3,(H,17,18,20)
InChIKeyOOCPTXAUBLYLDK-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-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

2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514948
6-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106514723
6-(2,6-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522257
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
6-(4-chloro-3-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106518971
2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106523143
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
CID 106521422
6-(5-chloro-2-methoxyphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106514760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione (CID 106523150) is 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione is CCc1nc(=S)c(C)c(-c2ccc(C)c(C)c2OC)[nH]1.
What is the InChIKey of 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is OOCPTXAUBLYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-6-13-17-14(11(4)16(20)18-13)12-8-7-9(2)10(3)15(12)19-5/h7-8H,6H2,1-5H3,(H,17,18,20).
What are the key properties of 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione?
2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 288.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106523150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).