1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one

C12H16N4O3 — CID 63600813

IUPAC1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H16N4O3/c1-2-9-11(18)13-5-7-16(9)10(17)8-15-6-3-4-14-12(15)19/h3-4,6,9H,2,5,7-8H2,1H3,(H,13,18)
InChIKeyNLQCYVRZHUORBU-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.02
Rot. Bonds3

About 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one

1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 63600813) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID63600813
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H16N4O3/c1-2-9-11(18)13-5-7-16(9)10(17)8-15-6-3-4-14-12(15)19/h3-4,6,9H,2,5,7-8H2,1H3,(H,13,18)
InChIKeyNLQCYVRZHUORBU-UHFFFAOYSA-N
XLogP-1.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one (CID 63600813) is 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one is CCC1C(=O)NCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is NLQCYVRZHUORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-2-9-11(18)13-5-7-16(9)10(17)8-15-6-3-4-14-12(15)19/h3-4,6,9H,2,5,7-8H2,1H3,(H,13,18).
What are the key properties of 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 264.28 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 63600813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).