4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one

C11H16N4O2 — CID 114217405

IUPAC4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
SMILESCc1ccn(CC(=O)N2CCNCC2)c(=O)n1
InChIInChI=1S/C11H16N4O2/c1-9-2-5-15(11(17)13-9)8-10(16)14-6-3-12-4-7-14/h2,5,12H,3-4,6-8H2,1H3
InChIKeyACWGUMYJZKUPNZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.02
Rot. Bonds2

About 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one

4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one (PubChem CID 114217405) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
PubChem CID114217405
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
SMILESCc1ccn(CC(=O)N2CCNCC2)c(=O)n1
InChIInChI=1S/C11H16N4O2/c1-9-2-5-15(11(17)13-9)8-10(16)14-6-3-12-4-7-14/h2,5,12H,3-4,6-8H2,1H3
InChIKeyACWGUMYJZKUPNZ-UHFFFAOYSA-N
XLogP-1.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one (CID 114217405) is 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one is Cc1ccn(CC(=O)N2CCNCC2)c(=O)n1.
What is the InChIKey of 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one?
The InChIKey is ACWGUMYJZKUPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9-2-5-15(11(17)13-9)8-10(16)14-6-3-12-4-7-14/h2,5,12H,3-4,6-8H2,1H3.
What are the key properties of 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one?
4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one is sourced from PubChem (CID 114217405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).