2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol

C10H15BrN4O — CID 2761037

IUPAC2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2
InChIKeyZZAGRUBMUDIADL-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.35
Rot. Bonds3

About 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol

2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol (PubChem CID 2761037) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol
PubChem CID2761037
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2
InChIKeyZZAGRUBMUDIADL-UHFFFAOYSA-N
XLogP0.35
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol (CID 2761037) is 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol?
The InChIKey is ZZAGRUBMUDIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2.
What are the key properties of 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol?
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol has a molecular weight of 287.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2761037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).