5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H15BrN4O — CID 136957392

IUPAC5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H15BrN4O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyDCLLTZGHIFQZOE-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.67
Rot. Bonds2

About 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957392) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957392
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C10H15BrN4O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyDCLLTZGHIFQZOE-UHFFFAOYSA-N
XLogP0.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 136957392) is 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is CCN1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DCLLTZGHIFQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).