6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C11H16N4O2 — CID 61225138

IUPAC6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14-4-2-12-3-5-14/h6,8,12H,2-5,7H2,1H3
InChIKeyREEAPAAWELMFSI-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.02
Rot. Bonds2

About 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 61225138) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID61225138
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCNCC2)cn1
InChIInChI=1S/C11H16N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14-4-2-12-3-5-14/h6,8,12H,2-5,7H2,1H3
InChIKeyREEAPAAWELMFSI-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 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 61225138) is 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCNCC2)cn1.
What is the InChIKey of 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is REEAPAAWELMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14-4-2-12-3-5-14/h6,8,12H,2-5,7H2,1H3.
What are the key properties of 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-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 6-methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 61225138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).