5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione

C15H26N4O2 — CID 79488035

IUPAC5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione
SMILESCCC1(CC)C(=O)N=C(C(C)(C)N2CCNCC2)NC1=O
InChIInChI=1S/C15H26N4O2/c1-5-15(6-2)12(20)17-11(18-13(15)21)14(3,4)19-9-7-16-8-10-19/h16H,5-10H2,1-4H3,(H,17,18,20,21)
InChIKeyJMQLVILLWVMREI-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.53
Rot. Bonds4

About 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione

5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione (PubChem CID 79488035) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione
PubChem CID79488035
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione
SMILESCCC1(CC)C(=O)N=C(C(C)(C)N2CCNCC2)NC1=O
InChIInChI=1S/C15H26N4O2/c1-5-15(6-2)12(20)17-11(18-13(15)21)14(3,4)19-9-7-16-8-10-19/h16H,5-10H2,1-4H3,(H,17,18,20,21)
InChIKeyJMQLVILLWVMREI-UHFFFAOYSA-N
XLogP0.53
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.53
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 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione (CID 79488035) is 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione is CCC1(CC)C(=O)N=C(C(C)(C)N2CCNCC2)NC1=O.
What is the InChIKey of 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is JMQLVILLWVMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-15(6-2)12(20)17-11(18-13(15)21)14(3,4)19-9-7-16-8-10-19/h16H,5-10H2,1-4H3,(H,17,18,20,21).
What are the key properties of 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione?
5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 294.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79488035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).