4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

C16H21N5O2S — CID 4657240

IUPAC4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(SCC(=O)N2CCN(c3ccccn3)CC2)=N1
InChIInChI=1S/C16H21N5O2S/c1-12-10-14(22)19-16(18-12)24-11-15(23)21-8-6-20(7-9-21)13-4-2-3-5-17-13/h2-5,12H,6-11H2,1H3,(H,18,19,22)
InChIKeyWDROVQIUPOGTLG-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.73
Rot. Bonds3

About 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one

4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 4657240) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID4657240
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(SCC(=O)N2CCN(c3ccccn3)CC2)=N1
InChIInChI=1S/C16H21N5O2S/c1-12-10-14(22)19-16(18-12)24-11-15(23)21-8-6-20(7-9-21)13-4-2-3-5-17-13/h2-5,12H,6-11H2,1H3,(H,18,19,22)
InChIKeyWDROVQIUPOGTLG-UHFFFAOYSA-N
XLogP0.73
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one with MolForge

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Related Compounds

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2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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CID 8513676
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
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CID 42650324
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1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
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CID 127255241
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one (CID 4657240) is 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one is CC1CC(=O)NC(SCC(=O)N2CCN(c3ccccn3)CC2)=N1.
What is the InChIKey of 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is WDROVQIUPOGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-12-10-14(22)19-16(18-12)24-11-15(23)21-8-6-20(7-9-21)13-4-2-3-5-17-13/h2-5,12H,6-11H2,1H3,(H,18,19,22).
What are the key properties of 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one?
4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 347.44 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 4657240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).