1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione

C10H14N4O3 — CID 28945242

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-1-4-14(10(17)12-8)7-9(16)13-5-2-11-3-6-13/h1,4,11H,2-3,5-7H2,(H,12,15,17)
InChIKeyZNTJSIZJCYYNBA-UHFFFAOYSA-N
MW238.25 g/mol
LogP-2.03
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione

1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 28945242) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID28945242
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-1-4-14(10(17)12-8)7-9(16)13-5-2-11-3-6-13/h1,4,11H,2-3,5-7H2,(H,12,15,17)
InChIKeyZNTJSIZJCYYNBA-UHFFFAOYSA-N
XLogP-2.03
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-2.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione (CID 28945242) is 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is ZNTJSIZJCYYNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8-1-4-14(10(17)12-8)7-9(16)13-5-2-11-3-6-13/h1,4,11H,2-3,5-7H2,(H,12,15,17).
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione?
1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 28945242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).