4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one

C13H17N3O3 — CID 62018050

IUPAC4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC(=O)CC2)c(=O)n1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(2)16(13(19)14-9)8-12(18)15-5-3-11(17)4-6-15/h7H,3-6,8H2,1-2H3
InChIKeySLBQHXDILJHHOE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.05
Rot. Bonds2

About 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one

4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one (PubChem CID 62018050) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one
PubChem CID62018050
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCC(=O)CC2)c(=O)n1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(2)16(13(19)14-9)8-12(18)15-5-3-11(17)4-6-15/h7H,3-6,8H2,1-2H3
InChIKeySLBQHXDILJHHOE-UHFFFAOYSA-N
XLogP0.05
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one (CID 62018050) is 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCC(=O)CC2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one?
The InChIKey is SLBQHXDILJHHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-10(2)16(13(19)14-9)8-12(18)15-5-3-11(17)4-6-15/h7H,3-6,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one?
4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62018050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).