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

C14H20N4O3 — CID 63602404

IUPAC5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H20N4O3/c1-4-11-13(20)15-5-6-18(11)12(19)7-10-8(2)16-14(21)17-9(10)3/h11H,4-7H2,1-3H3,(H,15,20)(H,16,17,21)
InChIKeyJMECIUAZVVMAHB-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.33
Rot. Bonds3

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

5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 63602404) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID63602404
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C14H20N4O3/c1-4-11-13(20)15-5-6-18(11)12(19)7-10-8(2)16-14(21)17-9(10)3/h11H,4-7H2,1-3H3,(H,15,20)(H,16,17,21)
InChIKeyJMECIUAZVVMAHB-UHFFFAOYSA-N
XLogP-0.33
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 63602404) is 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is CCC1C(=O)NCCN1C(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is JMECIUAZVVMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-11-13(20)15-5-6-18(11)12(19)7-10-8(2)16-14(21)17-9(10)3/h11H,4-7H2,1-3H3,(H,15,20)(H,16,17,21).
What are the key properties of 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-(2-ethyl-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, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 63602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).