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

C14H15FN2S — CID 106884726

IUPAC5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCc1c(-c2c(C)cc(C)cc2F)[nH]cnc1=S
InChIInChI=1S/C14H15FN2S/c1-4-10-13(16-7-17-14(10)18)12-9(3)5-8(2)6-11(12)15/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyIEXRECCKHLDNLB-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.12
Rot. Bonds2

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

5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106884726) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
PubChem CID106884726
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
SMILESCCc1c(-c2c(C)cc(C)cc2F)[nH]cnc1=S
InChIInChI=1S/C14H15FN2S/c1-4-10-13(16-7-17-14(10)18)12-9(3)5-8(2)6-11(12)15/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyIEXRECCKHLDNLB-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

5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106519161
5-ethyl-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106514616
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
6-(5-chloro-2-methoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106514716
5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
CID 106518134
6-(2-fluoro-4,6-dimethylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106884727
6-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106516821
6-(3,4-dimethylphenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106516511
6-(2,4-difluorophenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106517018
5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
CID 136955627
4-(2-fluoro-4,6-dimethylphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 106884676

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione (CID 106884726) is 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione is CCc1c(-c2c(C)cc(C)cc2F)[nH]cnc1=S.
What is the InChIKey of 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is IEXRECCKHLDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-4-10-13(16-7-17-14(10)18)12-9(3)5-8(2)6-11(12)15/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione?
5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-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 5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106884726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).