3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione

C13H18N4O2 — CID 107590262

IUPAC3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(c2cncnc2)C1=O
InChIInChI=1S/C13H18N4O2/c1-4-10-13(19)17(9-5-14-7-15-6-9)11(8(2)3)12(18)16-10/h5-8,10-11H,4H2,1-3H3,(H,16,18)
InChIKeyAJTDHXSEUMYOBF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.74
Rot. Bonds3

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

3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione (PubChem CID 107590262) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
PubChem CID107590262
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(c2cncnc2)C1=O
InChIInChI=1S/C13H18N4O2/c1-4-10-13(19)17(9-5-14-7-15-6-9)11(8(2)3)12(18)16-10/h5-8,10-11H,4H2,1-3H3,(H,16,18)
InChIKeyAJTDHXSEUMYOBF-UHFFFAOYSA-N
XLogP0.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 107464996
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64957844
3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590273
1-(2-bromo-5-methylphenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749874
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
1-(3-chloro-2-fluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64962900
3-ethyl-1-(4-fluoro-2-iodophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 79761878
3-ethyl-6-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107587018
3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107587007
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione (CID 107590262) is 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(c2cncnc2)C1=O.
What is the InChIKey of 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The InChIKey is AJTDHXSEUMYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-10-13(19)17(9-5-14-7-15-6-9)11(8(2)3)12(18)16-10/h5-8,10-11H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione is sourced from PubChem (CID 107590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).