1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone

C19H15FN2OS — CID 16876879

IUPAC1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-13-21-17(14-5-3-2-4-6-14)11-19(22-13)24-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3
InChIKeyDRIPPGCBYGHWOY-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.57
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone (PubChem CID 16876879) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone
PubChem CID16876879
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)c2ccc(F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-13-21-17(14-5-3-2-4-6-14)11-19(22-13)24-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3
InChIKeyDRIPPGCBYGHWOY-UHFFFAOYSA-N
XLogP4.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone (CID 16876879) is 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone is Cc1nc(SCC(=O)c2ccc(F)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone?
The InChIKey is DRIPPGCBYGHWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-13-21-17(14-5-3-2-4-6-14)11-19(22-13)24-12-18(23)15-7-9-16(20)10-8-15/h2-11H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone has a molecular weight of 338.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 16876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).