5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C14H20N4O3 — CID 136911228

IUPAC5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21)
InChIKeyLWUVBVNBRYWRGD-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.38
Rot. Bonds2

About 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136911228) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136911228
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21)
InChIKeyLWUVBVNBRYWRGD-UHFFFAOYSA-N
XLogP-0.38
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
2,4-dimethyl-5-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 135933975
5-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 146043505
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243
2,4-dimethyl-5-[2-oxo-2-(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)ethyl]-1H-pyrimidin-6-one
CID 163312730
2,4-dimethyl-5-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 135881334
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
2,4-dimethyl-5-[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136702711
4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidin-2-one
CID 60692369
5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136988459
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135930631

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136911228) is 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is CC(=O)N1CCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)CC1.
What is the InChIKey of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LWUVBVNBRYWRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-12(14(21)16-10(2)15-9)8-13(20)18-6-4-17(5-7-18)11(3)19/h4-8H2,1-3H3,(H,15,16,21).
What are the key properties of 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136911228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).