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

C10H16BrN5 — CID 66342072

IUPAC2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C10H16BrN5/c11-9-7-13-8-14-10(9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6,12H2
InChIKeyDAQACBCZQHXAGZ-UHFFFAOYSA-N
MW286.18 g/mol
LogP0.32
Rot. Bonds3

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

2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 66342072) has the molecular formula C10H16BrN5 and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID66342072
Molecular FormulaC10H16BrN5
Molecular Weight286.18 g/mol
Exact Mass285.06
IUPAC Name2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(c2ncncc2Br)CC1
InChIInChI=1S/C10H16BrN5/c11-9-7-13-8-14-10(9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6,12H2
InChIKeyDAQACBCZQHXAGZ-UHFFFAOYSA-N
XLogP0.32
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 50.32
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-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine (CID 66342072) is 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine is NCCN1CCN(c2ncncc2Br)CC1.
What is the InChIKey of 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is DAQACBCZQHXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5/c11-9-7-13-8-14-10(9)16-5-3-15(2-1-12)4-6-16/h7-8H,1-6,12H2.
What are the key properties of 2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine?
2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 286.18 g/mol, XLogP of 0.32, 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-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 66342072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).