6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione

C17H13FN2O2S — CID 10236752

IUPAC6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
SMILESCSc1ccc(-n2c(-c3ccc(F)cc3)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H13FN2O2S/c1-23-14-8-6-13(7-9-14)20-15(10-16(21)19-17(20)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,21,22)
InChIKeyMBHQFRGEQXLNRI-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.05
Rot. Bonds3

About 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione

6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione (PubChem CID 10236752) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
PubChem CID10236752
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione
SMILESCSc1ccc(-n2c(-c3ccc(F)cc3)cc(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H13FN2O2S/c1-23-14-8-6-13(7-9-14)20-15(10-16(21)19-17(20)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,21,22)
InChIKeyMBHQFRGEQXLNRI-UHFFFAOYSA-N
XLogP3.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Benzyl-2-oxopyridin-3-yl)-3-(4-methylsulfanylphenyl)urea
CID 1450049
1-[1-[(2-Fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 1450063
N-[4-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2464973
N,N-Dibenzyl-N'-[4-(methylsulfanyl)phenyl]urea
CID 44314860
N-((4-((trifluoromethyl)thio)phenyl)carbamoyl)benzamide
CID 888570
1-[4-(Difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)urea
CID 4799119
1-[(2-fluorophenyl)methyl]-N-[2-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 26844039
N-benzyl-2-cyano-N-[(4-methylsulfanylphenyl)carbamoyl]acetamide
CID 2822877
(E)-N-(2,5-difluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 7770178
Benzamide, 2,6-difluoro-N-(((2-fluoro-4-((1,1,2,2-tetrafluoroethyl)thio)phenyl)amino)carbonyl)-
CID 180793
2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide
CID 180831
N-(4-Fluorophenyl)-3-(4-(methylthio)phenyl)acrylamide
CID 6082002

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione (CID 10236752) is 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione is CSc1ccc(-n2c(-c3ccc(F)cc3)cc(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
The InChIKey is MBHQFRGEQXLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-23-14-8-6-13(7-9-14)20-15(10-16(21)19-17(20)22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,21,22).
What are the key properties of 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione?
6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10236752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).