6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one

C14H15FN2OS — CID 7237295

IUPAC6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-3-12-8-13(18)17(2)14(16-12)19-9-10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyHJHJPQPAZUUWBE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.77
Rot. Bonds4

About 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one

6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one (PubChem CID 7237295) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
PubChem CID7237295
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2OS/c1-3-12-8-13(18)17(2)14(16-12)19-9-10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3
InChIKeyHJHJPQPAZUUWBE-UHFFFAOYSA-N
XLogP2.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7301710
4-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135561627
3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 6464901
2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(3-fluorophenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 7301896
2-[(3-fluorophenyl)methylsulfanyl]-3-methyl-4-oxoquinazoline-7-carboxylic acid
CID 45450700
6-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7297673
2-[(3-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 7301528
4-[(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 7283191
2-[(3-fluorophenyl)methylsulfanyl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 112773819
6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7328016
[5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314009
6-benzyl-2-decylsulfanyl-3-methylpyrimidin-4-one
CID 56691069

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one (CID 7237295) is 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one is CCc1cc(=O)n(C)c(SCc2cccc(F)c2)n1.
What is the InChIKey of 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The InChIKey is HJHJPQPAZUUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-12-8-13(18)17(2)14(16-12)19-9-10-5-4-6-11(15)7-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one has a molecular weight of 278.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 7237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).