2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione

C10H16N4O2 — CID 53215289

IUPAC2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
SMILESCCN1CCN(C2=NC(=O)CC(=O)N2)CC1
InChIInChI=1S/C10H16N4O2/c1-2-13-3-5-14(6-4-13)10-11-8(15)7-9(16)12-10/h2-7H2,1H3,(H,11,12,15,16)
InChIKeyIWTZHEBQOXJOFN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.97
Rot. Bonds1

About 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione

2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione (PubChem CID 53215289) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
PubChem CID53215289
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione
SMILESCCN1CCN(C2=NC(=O)CC(=O)N2)CC1
InChIInChI=1S/C10H16N4O2/c1-2-13-3-5-14(6-4-13)10-11-8(15)7-9(16)12-10/h2-7H2,1H3,(H,11,12,15,16)
InChIKeyIWTZHEBQOXJOFN-UHFFFAOYSA-N
XLogP-0.97
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione (CID 53215289) is 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione is CCN1CCN(C2=NC(=O)CC(=O)N2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is IWTZHEBQOXJOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-13-3-5-14(6-4-13)10-11-8(15)7-9(16)12-10/h2-7H2,1H3,(H,11,12,15,16).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione?
2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 224.26 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 53215289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).