5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine

C9H11BrClN5 — CID 87602817

IUPAC5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine
SMILESClc1ncncc1Br.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C4H2BrClN2/c6-2-1-5-3-7-4-8-5;5-3-1-7-2-8-4(3)6/h3-4H,1-2,6H2,(H,7,8);1-2H
InChIKeyPZGLLYBLIXHMCH-UHFFFAOYSA-N
MW304.58 g/mol
LogP1.80
Rot. Bonds2

About 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine

5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 87602817) has the molecular formula C9H11BrClN5 and a molecular weight of 304.58 g/mol. Its IUPAC name is 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine
PubChem CID87602817
Molecular FormulaC9H11BrClN5
Molecular Weight304.58 g/mol
Exact Mass302.99
IUPAC Name5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine
SMILESClc1ncncc1Br.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C4H2BrClN2/c6-2-1-5-3-7-4-8-5;5-3-1-7-2-8-4(3)6/h3-4H,1-2,6H2,(H,7,8);1-2H
InChIKeyPZGLLYBLIXHMCH-UHFFFAOYSA-N
XLogP1.80
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
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acetaldehyde;1H-imidazole;2-(1H-imidazol-5-yl)ethanamine
CID 88937716
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 106195043
5-(2-methylsulfanylethyl)-1H-imidazole
CID 141211352
2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine (CID 87602817) is 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine is Clc1ncncc1Br.NCCc1cnc[nH]1.
What is the InChIKey of 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is PZGLLYBLIXHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C4H2BrClN2/c6-2-1-5-3-7-4-8-5;5-3-1-7-2-8-4(3)6/h3-4H,1-2,6H2,(H,7,8);1-2H.
What are the key properties of 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine?
5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 304.58 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloropyrimidine;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 87602817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).