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

C14H15FN2S — CID 106514948

IUPAC2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccc(F)cc2C)[nH]1
InChIInChI=1S/C14H15FN2S/c1-4-12-16-13(9(3)14(18)17-12)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyBZZJVIGEROXEKZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.12
Rot. Bonds2

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

2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106514948) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
PubChem CID106514948
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccc(F)cc2C)[nH]1
InChIInChI=1S/C14H15FN2S/c1-4-12-16-13(9(3)14(18)17-12)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyBZZJVIGEROXEKZ-UHFFFAOYSA-N
XLogP4.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.12
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

2-tert-butyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514957
2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106523150
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648
2-tert-butyl-6-(2,4-difluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106517009
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
6-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106514723
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
CID 106505502
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516662
2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478204
6-(2,3-difluorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106518243
6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106520553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione (CID 106514948) is 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione is CCc1nc(=S)c(C)c(-c2ccc(F)cc2C)[nH]1.
What is the InChIKey of 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is BZZJVIGEROXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-4-12-16-13(9(3)14(18)17-12)11-6-5-10(15)7-8(11)2/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione?
2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 262.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106514948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).