4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one

C20H25N3O2S — CID 136616671

IUPAC4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O2S/c1-14-17(13-18(24)23-11-7-4-8-12-23)19(25)22-20(21-14)26-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,21,22,25)
InChIKeyINODZXJPCZQOCZ-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.49
Rot. Bonds5

About 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one

4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 136616671) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID136616671
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
SMILESCc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O2S/c1-14-17(13-18(24)23-11-7-4-8-12-23)19(25)22-20(21-14)26-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,21,22,25)
InChIKeyINODZXJPCZQOCZ-UHFFFAOYSA-N
XLogP3.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one
CID 136616634
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616661
2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-N-(4-methylphenyl)acetamide
CID 136616702
N-(4-bromophenyl)-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616709
ethyl 4-[2-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 136616116
N-[2-(1H-indol-3-yl)ethyl]-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616626
N-methyl-2-[2-[[2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 136616627
N-[2-(3-methoxyphenyl)ethyl]-2-[4-methyl-6-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide
CID 136616655
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
5-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135952809
4,6-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-2-one
CID 60692290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one (CID 136616671) is 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one is Cc1nc(SC(C)c2ccccc2)[nH]c(=O)c1CC(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is INODZXJPCZQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14-17(13-18(24)23-11-7-4-8-12-23)19(25)22-20(21-14)26-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,21,22,25).
What are the key properties of 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one?
4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 371.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-2-(1-phenylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136616671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).