2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione

C15H18N2S — CID 106518420

IUPAC2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2S/c1-5-14-16-13(8-15(18)17-14)12-7-10(3)9(2)6-11(12)4/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyRXTFXTNLRIHDQH-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.29
Rot. Bonds2

About 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione

2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106518420) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
PubChem CID106518420
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2cc(C)c(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2S/c1-5-14-16-13(8-15(18)17-14)12-7-10(3)9(2)6-11(12)4/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyRXTFXTNLRIHDQH-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dichlorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514071
6-(3,5-difluorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514135
2-ethyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515355
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106515564
2-ethyl-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519576
2-ethyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 94077043
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106521767
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1H-pyrimidine-4-thione
CID 106515251
3-(2-ethyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzonitrile
CID 106514412
2-(ethoxymethyl)-6-(2-methoxy-3,4-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106523143
2-ethyl-6-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidine-4-thione
CID 106521830

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione (CID 106518420) is 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(-c2cc(C)c(C)cc2C)[nH]1.
What is the InChIKey of 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is RXTFXTNLRIHDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-5-14-16-13(8-15(18)17-14)12-7-10(3)9(2)6-11(12)4/h6-8H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione?
2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 258.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).