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

C15H18N2O2S — CID 7301710

IUPAC6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-12-9-14(18)17(2)15(16-12)20-10-11-5-7-13(19-3)8-6-11/h5-9H,4,10H2,1-3H3
InChIKeyFBTJPASJYWZBII-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.64
Rot. Bonds5

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

6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one (PubChem CID 7301710) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
PubChem CID7301710
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
SMILESCCc1cc(=O)n(C)c(SCc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18N2O2S/c1-4-12-9-14(18)17(2)15(16-12)20-10-11-5-7-13(19-3)8-6-11/h5-9H,4,10H2,1-3H3
InChIKeyFBTJPASJYWZBII-UHFFFAOYSA-N
XLogP2.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7237295
4-[(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 7283191
6-tert-butyl-2-[(3-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7328016
6-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7297673
3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1104186
2-[(2-fluorophenyl)methylsulfanyl]-3-methyl-6-propylpyrimidin-4-one
CID 42796689
2-[(3-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-3,6-dimethylpyrimidin-4-one
CID 7301528
3-[(4-bromophenyl)methylsulfanyl]-5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazole
CID 19640075
3-[(4-chlorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazole
CID 4679311
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
3-[1-(4-ethylphenoxy)ethyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 19638853
N-[1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 2969447

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one (CID 7301710) is 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one is CCc1cc(=O)n(C)c(SCc2ccc(OC)cc2)n1.
What is the InChIKey of 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
The InChIKey is FBTJPASJYWZBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-12-9-14(18)17(2)15(16-12)20-10-11-5-7-13(19-3)8-6-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one?
6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one has a molecular weight of 290.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 7301710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).