[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium

C11H15BrN5+ — CID 177145765

IUPAC[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium
SMILESCCc1cnc([C@H](C)[NH3+])n1-c1ncc(Br)cn1
InChIInChI=1S/C11H14BrN5/c1-3-9-6-14-10(7(2)13)17(9)11-15-4-8(12)5-16-11/h4-7H,3,13H2,1-2H3/p+1/t7-/m0/s1
InChIKeySYJPFDQGZOKWJJ-ZETCQYMHSA-O
MW297.18 g/mol
LogP1.29
Rot. Bonds3

About [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium

[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium (PubChem CID 177145765) has the molecular formula C11H15BrN5+ and a molecular weight of 297.18 g/mol. Its IUPAC name is [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium
PubChem CID177145765
Molecular FormulaC11H15BrN5+
Molecular Weight297.18 g/mol
Exact Mass296.05
IUPAC Name[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium
SMILESCCc1cnc([C@H](C)[NH3+])n1-c1ncc(Br)cn1
InChIInChI=1S/C11H14BrN5/c1-3-9-6-14-10(7(2)13)17(9)11-15-4-8(12)5-16-11/h4-7H,3,13H2,1-2H3/p+1/t7-/m0/s1
InChIKeySYJPFDQGZOKWJJ-ZETCQYMHSA-O
XLogP1.29
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium?
The IUPAC name of [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium (CID 177145765) is [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium.
What is the SMILES notation for [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium?
The canonical SMILES for [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium is CCc1cnc([C@H](C)[NH3+])n1-c1ncc(Br)cn1.
What is the InChIKey of [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium?
The InChIKey is SYJPFDQGZOKWJJ-ZETCQYMHSA-O. The full InChI is InChI=1S/C11H14BrN5/c1-3-9-6-14-10(7(2)13)17(9)11-15-4-8(12)5-16-11/h4-7H,3,13H2,1-2H3/p+1/t7-/m0/s1.
What are the key properties of [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium?
[(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium has a molecular weight of 297.18 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[1-(5-bromopyrimidin-2-yl)-5-ethylimidazol-2-yl]ethyl]azanium is sourced from PubChem (CID 177145765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).