2-(4-bromopyrimidin-2-yl)ethanamine

C6H8BrN3 — CID 105454055

IUPAC2-(4-bromopyrimidin-2-yl)ethanamine
SMILESNCCc1nccc(Br)n1
InChIInChI=1S/C6H8BrN3/c7-5-2-4-9-6(10-5)1-3-8/h2,4H,1,3,8H2
InChIKeyYCSDXHSQDJXHJB-UHFFFAOYSA-N
MW202.06 g/mol
LogP0.74
Rot. Bonds2

About 2-(4-bromopyrimidin-2-yl)ethanamine

2-(4-bromopyrimidin-2-yl)ethanamine (PubChem CID 105454055) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 2-(4-bromopyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromopyrimidin-2-yl)ethanamine
PubChem CID105454055
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name2-(4-bromopyrimidin-2-yl)ethanamine
SMILESNCCc1nccc(Br)n1
InChIInChI=1S/C6H8BrN3/c7-5-2-4-9-6(10-5)1-3-8/h2,4H,1,3,8H2
InChIKeyYCSDXHSQDJXHJB-UHFFFAOYSA-N
XLogP0.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromopyrimidin-2-yl)ethanamine (CID 105454055) is 2-(4-bromopyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromopyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromopyrimidin-2-yl)ethanamine is NCCc1nccc(Br)n1.
What is the InChIKey of 2-(4-bromopyrimidin-2-yl)ethanamine?
The InChIKey is YCSDXHSQDJXHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-5-2-4-9-6(10-5)1-3-8/h2,4H,1,3,8H2.
What are the key properties of 2-(4-bromopyrimidin-2-yl)ethanamine?
2-(4-bromopyrimidin-2-yl)ethanamine has a molecular weight of 202.06 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrimidin-2-yl)ethanamine is sourced from PubChem (CID 105454055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).