2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one

C13H20N4O2 — CID 63768847

IUPAC2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-13(19)17(11(2)15-10)6-3-12(18)16-7-4-14-5-8-16/h9,14H,3-8H2,1-2H3
InChIKeyXBVWFDSGONJTRB-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.32
Rot. Bonds3

About 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one

2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one (PubChem CID 63768847) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
PubChem CID63768847
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCC(=O)N2CCNCC2)c(C)n1
InChIInChI=1S/C13H20N4O2/c1-10-9-13(19)17(11(2)15-10)6-3-12(18)16-7-4-14-5-8-16/h9,14H,3-8H2,1-2H3
InChIKeyXBVWFDSGONJTRB-UHFFFAOYSA-N
XLogP-0.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one (CID 63768847) is 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one is Cc1cc(=O)n(CCC(=O)N2CCNCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is XBVWFDSGONJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-9-13(19)17(11(2)15-10)6-3-12(18)16-7-4-14-5-8-16/h9,14H,3-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 63768847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).