5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

C14H20N4O3 — CID 63606192

IUPAC5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H20N4O3/c1-8-10(9(2)17-13(21)16-8)7-11(19)18-6-5-15-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,20)(H,16,17,21)
InChIKeyOYURXLDERUCGIS-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds2

About 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 63606192) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID63606192
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C14H20N4O3/c1-8-10(9(2)17-13(21)16-8)7-11(19)18-6-5-15-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,20)(H,16,17,21)
InChIKeyOYURXLDERUCGIS-UHFFFAOYSA-N
XLogP-0.33
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 63606192) is 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is OYURXLDERUCGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8-10(9(2)17-13(21)16-8)7-11(19)18-6-5-15-12(20)14(18,3)4/h5-7H2,1-4H3,(H,15,20)(H,16,17,21).
What are the key properties of 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 292.34 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 63606192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).