4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

C10H11BrN4O2 — CID 66319098

IUPAC4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncncc1Br
InChIInChI=1S/C10H11BrN4O2/c1-2-7-10(17)14-8(16)4-15(7)9-6(11)3-12-5-13-9/h3,5,7H,2,4H2,1H3,(H,14,16,17)
InChIKeyFERBIWXNWUUMJY-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.48
Rot. Bonds2

About 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66319098) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66319098
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1ncncc1Br
InChIInChI=1S/C10H11BrN4O2/c1-2-7-10(17)14-8(16)4-15(7)9-6(11)3-12-5-13-9/h3,5,7H,2,4H2,1H3,(H,14,16,17)
InChIKeyFERBIWXNWUUMJY-UHFFFAOYSA-N
XLogP0.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (CID 66319098) is 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1ncncc1Br.
What is the InChIKey of 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is FERBIWXNWUUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-2-7-10(17)14-8(16)4-15(7)9-6(11)3-12-5-13-9/h3,5,7H,2,4H2,1H3,(H,14,16,17).
What are the key properties of 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 299.13 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66319098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).