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

C11H14N4O3 — CID 55219685

IUPAC1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESCC1C(=O)NCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H14N4O3/c1-8-10(17)12-4-6-15(8)9(16)7-14-5-2-3-13-11(14)18/h2-3,5,8H,4,6-7H2,1H3,(H,12,17)
InChIKeyQSWOWAHQIPJSMB-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.41
Rot. Bonds2

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

1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 55219685) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID55219685
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one
SMILESCC1C(=O)NCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H14N4O3/c1-8-10(17)12-4-6-15(8)9(16)7-14-5-2-3-13-11(14)18/h2-3,5,8H,4,6-7H2,1H3,(H,12,17)
InChIKeyQSWOWAHQIPJSMB-UHFFFAOYSA-N
XLogP-1.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one (CID 55219685) is 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one is CC1C(=O)NCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is QSWOWAHQIPJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8-10(17)12-4-6-15(8)9(16)7-14-5-2-3-13-11(14)18/h2-3,5,8H,4,6-7H2,1H3,(H,12,17).
What are the key properties of 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 250.26 g/mol, XLogP of -1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 55219685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).