N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine

C11H12BrN5 — CID 156830289

IUPACN-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCC(NCc1cnc(Br)cn1)c1ncccn1
InChIInChI=1S/C11H12BrN5/c1-8(11-13-3-2-4-14-11)15-5-9-6-17-10(12)7-16-9/h2-4,6-8,15H,5H2,1H3
InChIKeyTZUGENLYNPLMOS-UHFFFAOYSA-N
MW294.16 g/mol
LogP1.88
Rot. Bonds4

About N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine

N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine (PubChem CID 156830289) has the molecular formula C11H12BrN5 and a molecular weight of 294.16 g/mol. Its IUPAC name is N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine
PubChem CID156830289
Molecular FormulaC11H12BrN5
Molecular Weight294.16 g/mol
Exact Mass293.03
IUPAC NameN-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCC(NCc1cnc(Br)cn1)c1ncccn1
InChIInChI=1S/C11H12BrN5/c1-8(11-13-3-2-4-14-11)15-5-9-6-17-10(12)7-16-9/h2-4,6-8,15H,5H2,1H3
InChIKeyTZUGENLYNPLMOS-UHFFFAOYSA-N
XLogP1.88
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 175811445
(1R)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830628
(1S)-N-[(5-chloro-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830681
(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830398
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846814
(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
CID 156830173
N-[(6-bromopyridazin-3-yl)methyl]-1-pyrimidin-2-ylpropan-1-amine
CID 166710127
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402421
6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-N-[(5-bromo-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375023

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine?
The IUPAC name of N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine (CID 156830289) is N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine?
The canonical SMILES for N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine is CC(NCc1cnc(Br)cn1)c1ncccn1.
What is the InChIKey of N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine?
The InChIKey is TZUGENLYNPLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5/c1-8(11-13-3-2-4-14-11)15-5-9-6-17-10(12)7-16-9/h2-4,6-8,15H,5H2,1H3.
What are the key properties of N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine?
N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine has a molecular weight of 294.16 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrazin-2-yl)methyl]-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 156830289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).