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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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).