5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

C19H24N4O2S — CID 135413718

IUPAC5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C19H24N4O2S/c1-3-16-14(2)20-19(21-18(16)25)26-13-17(24)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,25)
InChIKeyHXHOTSLYZSSUAA-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.08
Rot. Bonds5

About 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 135413718) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID135413718
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C19H24N4O2S/c1-3-16-14(2)20-19(21-18(16)25)26-13-17(24)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,25)
InChIKeyHXHOTSLYZSSUAA-UHFFFAOYSA-N
XLogP2.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
2-methyl-6-(4-phenylpiperazine-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 7177780
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-3-prop-1-en-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009185
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N,N-diphenylacetamide
CID 1296709

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one (CID 135413718) is 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is CCc1c(C)nc(SCC(=O)N2CCN(c3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HXHOTSLYZSSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-16-14(2)20-19(21-18(16)25)26-13-17(24)23-11-9-22(10-12-23)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,20,21,25).
What are the key properties of 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 372.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135413718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).