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

C15H18N2OS — CID 106794207

IUPAC5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(-c2ccc(C)cc2OC)nc1=S
InChIInChI=1S/C15H18N2OS/c1-5-11-10(3)16-14(17-15(11)19)12-7-6-9(2)8-13(12)18-4/h6-8H,5H2,1-4H3,(H,16,17,19)
InChIKeyQMWFPKISYUFNOL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.99
Rot. Bonds3

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

5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106794207) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106794207
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(-c2ccc(C)cc2OC)nc1=S
InChIInChI=1S/C15H18N2OS/c1-5-11-10(3)16-14(17-15(11)19)12-7-6-9(2)8-13(12)18-4/h6-8H,5H2,1-4H3,(H,16,17,19)
InChIKeyQMWFPKISYUFNOL-UHFFFAOYSA-N
XLogP3.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
2-(2-bromo-4-methylphenyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 114015543
2-(2-methoxy-4-methylphenyl)-1H-pyrimidine-6-thione
CID 106794204
5-ethyl-6-methyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476936
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
2-(4-bromo-3,5-dimethylphenyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476992
5-ethyl-2-(3-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
CID 94076936
5-ethyl-6-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106476853
5-ethyl-2-(furan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106476851
2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
5-ethyl-2-(5-fluoro-2-pyridinyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476856
2-(4-ethyl-5-methyl-1H-imidazol-2-yl)-5-methylphenol
CID 155660193

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione (CID 106794207) is 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(-c2ccc(C)cc2OC)nc1=S.
What is the InChIKey of 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QMWFPKISYUFNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-5-11-10(3)16-14(17-15(11)19)12-7-6-9(2)8-13(12)18-4/h6-8H,5H2,1-4H3,(H,16,17,19).
What are the key properties of 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 274.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106794207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).