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

C14H20N4O2 — CID 107590273

IUPAC3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(c2cncnc2)C1=O
InChIInChI=1S/C14H20N4O2/c1-5-14(4)13(20)18(10-6-15-8-16-7-10)11(9(2)3)12(19)17-14/h6-9,11H,5H2,1-4H3,(H,17,19)
InChIKeyFDQZSZSIBHIGTK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.13
Rot. Bonds3

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

3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione (PubChem CID 107590273) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
PubChem CID107590273
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(c2cncnc2)C1=O
InChIInChI=1S/C14H20N4O2/c1-5-14(4)13(20)18(10-6-15-8-16-7-10)11(9(2)3)12(19)17-14/h6-9,11H,5H2,1-4H3,(H,17,19)
InChIKeyFDQZSZSIBHIGTK-UHFFFAOYSA-N
XLogP1.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64970783
3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
3-ethyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590262
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64960140
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516
1-(dicyclopropylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965656
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione (CID 107590273) is 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(c2cncnc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
The InChIKey is FDQZSZSIBHIGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-14(4)13(20)18(10-6-15-8-16-7-10)11(9(2)3)12(19)17-14/h6-9,11H,5H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione?
3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-6-propan-2-yl-1-pyrimidin-5-ylpiperazine-2,5-dione is sourced from PubChem (CID 107590273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).