6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one

C12H11FN2OS — CID 16822714

IUPAC6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1SCc1ccccc1F
InChIInChI=1S/C12H11FN2OS/c1-8-6-14-12(16)15-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyYOXFFZIECLCKCV-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.51
Rot. Bonds3

About 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one

6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one (PubChem CID 16822714) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one
PubChem CID16822714
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one
SMILESCc1cnc(=O)[nH]c1SCc1ccccc1F
InChIInChI=1S/C12H11FN2OS/c1-8-6-14-12(16)15-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyYOXFFZIECLCKCV-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one (CID 16822714) is 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one is Cc1cnc(=O)[nH]c1SCc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one?
The InChIKey is YOXFFZIECLCKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-6-14-12(16)15-11(8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one?
6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 16822714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).