3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione

C12H16N4O2 — CID 114112313

IUPAC3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(Cc2ccncn2)C1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)11-12(18)16(6-10(17)15-11)5-9-3-4-13-7-14-9/h3-4,7-8,11H,5-6H2,1-2H3,(H,15,17)
InChIKeyUCYBYPJAMMHPKX-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.04
Rot. Bonds3

About 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione

3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione (PubChem CID 114112313) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
PubChem CID114112313
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(Cc2ccncn2)C1=O
InChIInChI=1S/C12H16N4O2/c1-8(2)11-12(18)16(6-10(17)15-11)5-9-3-4-13-7-14-9/h3-4,7-8,11H,5-6H2,1-2H3,(H,15,17)
InChIKeyUCYBYPJAMMHPKX-UHFFFAOYSA-N
XLogP-0.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione (CID 114112313) is 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione is CC(C)C1NC(=O)CN(Cc2ccncn2)C1=O.
What is the InChIKey of 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is UCYBYPJAMMHPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)11-12(18)16(6-10(17)15-11)5-9-3-4-13-7-14-9/h3-4,7-8,11H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione?
3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 248.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(pyrimidin-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 114112313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).