2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one

C15H17FN2OS — CID 42796689

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(C)c(SCc2ccccc2F)n1
InChIInChI=1S/C15H17FN2OS/c1-3-6-12-9-14(19)18(2)15(17-12)20-10-11-7-4-5-8-13(11)16/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyZPJLQNWZSJWPPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.16
Rot. Bonds5

About 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one

2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one (PubChem CID 42796689) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one
PubChem CID42796689
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(C)c(SCc2ccccc2F)n1
InChIInChI=1S/C15H17FN2OS/c1-3-6-12-9-14(19)18(2)15(17-12)20-10-11-7-4-5-8-13(11)16/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyZPJLQNWZSJWPPG-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 7283191
3-methyl-2-prop-2-enylsulfanyl-6-propylpyrimidin-4-one
CID 42796682
3-[(2-fluorophenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 7455819
6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7237295
3-[(2-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 2412117
7-ethyl-8-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethylpurine-2,6-dione
CID 892910
2-[(2-fluorophenyl)methylsulfanyl]-3-pentylthieno[3,2-d]pyrimidin-4-one
CID 53331656
3-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazole
CID 19716666
6-benzyl-2-decylsulfanyl-3-methylpyrimidin-4-one
CID 56691069
2-[(2,3-difluorophenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 18099673
6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7301710
3-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-6-propylthieno[2,3-d]pyrimidin-4-one
CID 126122854

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one (CID 42796689) is 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one is CCCc1cc(=O)n(C)c(SCc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one?
The InChIKey is ZPJLQNWZSJWPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-3-6-12-9-14(19)18(2)15(17-12)20-10-11-7-4-5-8-13(11)16/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one?
2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one is sourced from PubChem (CID 42796689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).