2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione

C16H20N2O2S — CID 106523143

IUPAC2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C16H20N2O2S/c1-5-20-9-14-17-13(8-15(21)18-14)12-7-6-10(2)11(3)16(12)19-4/h6-8H,5,9H2,1-4H3,(H,17,18,21)
InChIKeyYEPNBUUAMHKNMS-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.97
Rot. Bonds5

About 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione

2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106523143) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
PubChem CID106523143
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCOCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1
InChIInChI=1S/C16H20N2O2S/c1-5-20-9-14-17-13(8-15(21)18-14)12-7-6-10(2)11(3)16(12)19-4/h6-8H,5,9H2,1-4H3,(H,17,18,21)
InChIKeyYEPNBUUAMHKNMS-UHFFFAOYSA-N
XLogP3.97
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106523150
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
6-(3-chloro-4-fluorophenyl)-2-(ethoxymethyl)-1H-pyrimidine-4-thione
CID 106521030
2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106518420
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
2-[(3-bromophenyl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477795

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione (CID 106523143) is 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione is CCOCc1nc(=S)cc(-c2ccc(C)c(C)c2OC)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is YEPNBUUAMHKNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-20-9-14-17-13(8-15(21)18-14)12-7-6-10(2)11(3)16(12)19-4/h6-8H,5,9H2,1-4H3,(H,17,18,21).
What are the key properties of 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione?
2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 304.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106523143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).