6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione

C13H18N4O2 — CID 107590252

IUPAC6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cncnc2)C1=O
InChIInChI=1S/C13H18N4O2/c1-3-5-10-13(19)17(9-6-14-8-15-7-9)11(4-2)12(18)16-10/h6-8,10-11H,3-5H2,1-2H3,(H,16,18)
InChIKeyUXIZDXXRPUREDZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.89
Rot. Bonds4

About 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione

6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione (PubChem CID 107590252) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
PubChem CID107590252
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(c2cncnc2)C1=O
InChIInChI=1S/C13H18N4O2/c1-3-5-10-13(19)17(9-6-14-8-15-7-9)11(4-2)12(18)16-10/h6-8,10-11H,3-5H2,1-2H3,(H,16,18)
InChIKeyUXIZDXXRPUREDZ-UHFFFAOYSA-N
XLogP0.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione (CID 107590252) is 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(c2cncnc2)C1=O.
What is the InChIKey of 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The InChIKey is UXIZDXXRPUREDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-5-10-13(19)17(9-6-14-8-15-7-9)11(4-2)12(18)16-10/h6-8,10-11H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione?
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione is sourced from PubChem (CID 107590252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).