6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

C14H20N4O2 — CID 64874564

IUPAC6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2ncccn2)C1=O
InChIInChI=1S/C14H20N4O2/c1-4-6-10-12(19)18(14(2,3)13(20)17-10)9-11-15-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,17,20)
InChIKeyJMXVSYAYENTNBJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds4

About 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione

6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64874564) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
PubChem CID64874564
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(Cc2ncccn2)C1=O
InChIInChI=1S/C14H20N4O2/c1-4-6-10-12(19)18(14(2,3)13(20)17-10)9-11-15-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,17,20)
InChIKeyJMXVSYAYENTNBJ-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-dimethyl-3-propyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64872787
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874506
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260905
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901097
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056418
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870547

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione (CID 64874564) is 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(Cc2ncccn2)C1=O.
What is the InChIKey of 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is JMXVSYAYENTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-6-10-12(19)18(14(2,3)13(20)17-10)9-11-15-7-5-8-16-11/h5,7-8,10H,4,6,9H2,1-3H3,(H,17,20).
What are the key properties of 6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione?
6,6-dimethyl-3-propyl-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-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).