4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one

C20H19FN2O2S — CID 135465427

IUPAC4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CSc2nc(Cc3ccc(F)cc3)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13-18(11-14-3-7-16(21)8-4-14)22-20(23-19(13)24)26-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyVFZRTVRRTHUDPL-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.11
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one

4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135465427) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135465427
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CSc2nc(Cc3ccc(F)cc3)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-13-18(11-14-3-7-16(21)8-4-14)22-20(23-19(13)24)26-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyVFZRTVRRTHUDPL-UHFFFAOYSA-N
XLogP4.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one (CID 135465427) is 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is COc1ccc(CSc2nc(Cc3ccc(F)cc3)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is VFZRTVRRTHUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-18(11-14-3-7-16(21)8-4-14)22-20(23-19(13)24)26-12-15-5-9-17(25-2)10-6-15/h3-10H,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one?
4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 370.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).