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

C12H20N4O2 — CID 79501541

IUPAC2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
SMILESCCCC(C1=NC(=O)CC(=O)N1)N1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h9,13H,2-8H2,1H3,(H,14,15,17,18)
InChIKeyUEPAZHPAUNDHHH-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.49
Rot. Bonds4

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

2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione (PubChem CID 79501541) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
PubChem CID79501541
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
SMILESCCCC(C1=NC(=O)CC(=O)N1)N1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h9,13H,2-8H2,1H3,(H,14,15,17,18)
InChIKeyUEPAZHPAUNDHHH-UHFFFAOYSA-N
XLogP-0.49
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione (CID 79501541) is 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione is CCCC(C1=NC(=O)CC(=O)N1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
The InChIKey is UEPAZHPAUNDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-9(16-6-4-13-5-7-16)12-14-10(17)8-11(18)15-12/h9,13H,2-8H2,1H3,(H,14,15,17,18).
What are the key properties of 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione?
2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione has a molecular weight of 252.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).