3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one

C13H20N4O — CID 133461689

IUPAC3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCc1cc(N2CCNC(=O)C2CC)nc(C)n1
InChIInChI=1S/C13H20N4O/c1-4-10-8-12(16-9(3)15-10)17-7-6-14-13(18)11(17)5-2/h8,11H,4-7H2,1-3H3,(H,14,18)
InChIKeyXAFQKUSSRBMYBU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds3

About 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one

3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one (PubChem CID 133461689) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
PubChem CID133461689
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
SMILESCCc1cc(N2CCNC(=O)C2CC)nc(C)n1
InChIInChI=1S/C13H20N4O/c1-4-10-8-12(16-9(3)15-10)17-7-6-14-13(18)11(17)5-2/h8,11H,4-7H2,1-3H3,(H,14,18)
InChIKeyXAFQKUSSRBMYBU-UHFFFAOYSA-N
XLogP1.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one (CID 133461689) is 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one is CCc1cc(N2CCNC(=O)C2CC)nc(C)n1.
What is the InChIKey of 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one?
The InChIKey is XAFQKUSSRBMYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-10-8-12(16-9(3)15-10)17-7-6-14-13(18)11(17)5-2/h8,11H,4-7H2,1-3H3,(H,14,18).
What are the key properties of 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one?
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 133461689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).