6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C13H20N4O4 — CID 53010421

IUPAC6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCC(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C13H20N4O4/c1-14-10(8-11(18)15(2)13(14)20)16-4-6-17(7-5-16)12(19)9-21-3/h8H,4-7,9H2,1-3H3
InChIKeyGUEDLCYHCQITIJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.62
Rot. Bonds3

About 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 53010421) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID53010421
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCC(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C13H20N4O4/c1-14-10(8-11(18)15(2)13(14)20)16-4-6-17(7-5-16)12(19)9-21-3/h8H,4-7,9H2,1-3H3
InChIKeyGUEDLCYHCQITIJ-UHFFFAOYSA-N
XLogP-1.62
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53001255
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 50825606
1,3-dimethyl-6-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 53107470
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
6-[4-[(2S)-2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 93070873
6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 53107533
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
6-[4-(2-ethoxyacetyl)piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
CID 53010431
1,3-dimethyl-6-[4-[3-[2-(2-oxopropoxy)phenoxy]propyl]piperazin-1-yl]pyrimidine-2,4-dione;hydrochloride
CID 19012089
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
CID 46381315
6-[4-[4-(4-chlorophenoxy)butyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012121

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 53010421) is 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is COCC(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GUEDLCYHCQITIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-14-10(8-11(18)15(2)13(14)20)16-4-6-17(7-5-16)12(19)9-21-3/h8H,4-7,9H2,1-3H3.
What are the key properties of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of -1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 53010421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).