5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C10H13BrN4O2 — CID 66309553

IUPAC5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCNCC1
InChIInChI=1S/C10H13BrN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2
InChIKeyUEPRMTXZPMPWJQ-UHFFFAOYSA-N
MW301.14 g/mol
LogP-0.56
Rot. Bonds2

About 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309553) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66309553
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCNCC1
InChIInChI=1S/C10H13BrN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2
InChIKeyUEPRMTXZPMPWJQ-UHFFFAOYSA-N
XLogP-0.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66309553) is 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cncc(Br)c1=O)N1CCNCC1.
What is the InChIKey of 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is UEPRMTXZPMPWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2.
What are the key properties of 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 301.14 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).