2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone

C18H13ClFN3OS — CID 2810507

IUPAC2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCc1nc(-c2ccccn2)nc(SCC(=O)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H13ClFN3OS/c1-11-16(19)18(23-17(22-11)14-4-2-3-9-21-14)25-10-15(24)12-5-7-13(20)8-6-12/h2-9H,10H2,1H3
InChIKeyMIMUQUFNQFXHIK-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.61
Rot. Bonds5

About 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone

2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone (PubChem CID 2810507) has the molecular formula C18H13ClFN3OS and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
PubChem CID2810507
Molecular FormulaC18H13ClFN3OS
Molecular Weight373.84 g/mol
Exact Mass373.05
IUPAC Name2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone
SMILESCc1nc(-c2ccccn2)nc(SCC(=O)c2ccc(F)cc2)c1Cl
InChIInChI=1S/C18H13ClFN3OS/c1-11-16(19)18(23-17(22-11)14-4-2-3-9-21-14)25-10-15(24)12-5-7-13(20)8-6-12/h2-9H,10H2,1H3
InChIKeyMIMUQUFNQFXHIK-UHFFFAOYSA-N
XLogP4.61
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone (CID 2810507) is 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone is Cc1nc(-c2ccccn2)nc(SCC(=O)c2ccc(F)cc2)c1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone?
The InChIKey is MIMUQUFNQFXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3OS/c1-11-16(19)18(23-17(22-11)14-4-2-3-9-21-14)25-10-15(24)12-5-7-13(20)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone?
2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone has a molecular weight of 373.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 2810507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).