6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

C14H20N4O2 — CID 64874506

IUPAC6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1ncccn1
InChIInChI=1S/C14H20N4O2/c1-4-14(5-2)13(20)17-10(3)12(19)18(14)9-11-15-7-6-8-16-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyWLGDPZLDBRYVGI-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds4

About 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64874506) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64874506
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1ncccn1
InChIInChI=1S/C14H20N4O2/c1-4-14(5-2)13(20)17-10(3)12(19)18(14)9-11-15-7-6-8-16-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,20)
InChIKeyWLGDPZLDBRYVGI-UHFFFAOYSA-N
XLogP0.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 104812693
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645008
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
CID 65096559
6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64881486
6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 103184637
6-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64875294
3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260645

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (CID 64874506) is 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1Cc1ncccn1.
What is the InChIKey of 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is WLGDPZLDBRYVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-14(5-2)13(20)17-10(3)12(19)18(14)9-11-15-7-6-8-16-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,20).
What are the key properties of 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).