6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 58735698

IUPAC6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-5-7(12-10(17)13-8)6-9(16)14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H2,12,13,15,17)
InChIKeyGHDHQVOYMHVFPC-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.96
Rot. Bonds2

About 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione

6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione (PubChem CID 58735698) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione
PubChem CID58735698
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C10H14N4O3/c15-8-5-7(12-10(17)13-8)6-9(16)14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H2,12,13,15,17)
InChIKeyGHDHQVOYMHVFPC-UHFFFAOYSA-N
XLogP-1.96
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione (CID 58735698) is 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GHDHQVOYMHVFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8-5-7(12-10(17)13-8)6-9(16)14-3-1-11-2-4-14/h5,11H,1-4,6H2,(H2,12,13,15,17).
What are the key properties of 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione?
6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58735698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).