6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

C15H22N4O2 — CID 64902418

IUPAC6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(Cc2ncccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-4-10(3)13-14(20)18-11(5-2)15(21)19(13)9-12-16-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyPSBINAPYMOXTLO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.13
Rot. Bonds5

About 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64902418) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64902418
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)CC)N(Cc2ncccn2)C1=O
InChIInChI=1S/C15H22N4O2/c1-4-10(3)13-14(20)18-11(5-2)15(21)19(13)9-12-16-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyPSBINAPYMOXTLO-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
1-[(4-bromothiophen-2-yl)methyl]-6-butan-2-yl-3-ethylpiperazine-2,5-dione
CID 64902609
6-butan-2-yl-3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141809
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
1-[(3-chlorophenyl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64902797
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
3-ethyl-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106376935
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64900962
3-ethyl-6-methyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901440
3-ethyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970383
3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64903566

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (CID 64902418) is 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(C(C)CC)N(Cc2ncccn2)C1=O.
What is the InChIKey of 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is PSBINAPYMOXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-10(3)13-14(20)18-11(5-2)15(21)19(13)9-12-16-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 290.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64902418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).