5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione

C14H24N4O2 — CID 76998376

IUPAC5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
SMILESCCCC(C1=NC(=O)C(CC)C(=O)N1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyYCHIYNGPMPMJER-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.14
Rot. Bonds5

About 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione

5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione (PubChem CID 76998376) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
PubChem CID76998376
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
SMILESCCCC(C1=NC(=O)C(CC)C(=O)N1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyYCHIYNGPMPMJER-UHFFFAOYSA-N
XLogP0.14
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
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 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione (CID 76998376) is 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione is CCCC(C1=NC(=O)C(CC)C(=O)N1)N1CCNCC1.
What is the InChIKey of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The InChIKey is YCHIYNGPMPMJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20).
What are the key properties of 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione has a molecular weight of 280.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).