7H-purin-3-ium-6-amine bromide

C5H6BrN5 — CID 172829786

IUPAC7H-purin-3-ium-6-amine bromide
SMILESNc1nc[nH+]c2nc[nH]c12.[Br-]
InChIInChI=1S/C5H5N5.BrH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
InChIKeyVIYODBXHEBSIMH-UHFFFAOYSA-N
MW216.04 g/mol
LogP-3.64
Rot. Bonds

About 7H-purin-3-ium-6-amine bromide

7H-purin-3-ium-6-amine bromide (PubChem CID 172829786) has the molecular formula C5H6BrN5 and a molecular weight of 216.04 g/mol. Its IUPAC name is 7H-purin-3-ium-6-amine bromide.

Molecular Properties

Compound Name7H-purin-3-ium-6-amine bromide
PubChem CID172829786
Molecular FormulaC5H6BrN5
Molecular Weight216.04 g/mol
Exact Mass214.98
IUPAC Name7H-purin-3-ium-6-amine bromide
SMILESNc1nc[nH+]c2nc[nH]c12.[Br-]
InChIInChI=1S/C5H5N5.BrH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
InChIKeyVIYODBXHEBSIMH-UHFFFAOYSA-N
XLogP-3.64
TPSA81.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 5-3.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis((Z)-4-hydroxy-4-oxobut-2-enoate);methanol;bis(7H-purin-3-ium-6-amine)
CID 139146435
methanol;7H-purin-6-amine
CID 67194832
2-(7H-purin-3-ium-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 123487872
CID 67796265
CID 67796265
7H-purin-6-amine;hydrochloride
CID 169432832
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
2-ethyl-7H-purin-6-amine
CID 19795383
bis(7H-purin-6-amine);sulfate
CID 23616791
2-tert-butyl-7H-purin-6-amine
CID 21493394
2-iodo-7H-purin-9-ium-6-amine
CID 173096138
6-propan-2-yloxy-7H-purin-1-ium
CID 173328407

Frequently Asked Questions

What is the IUPAC name of 7H-purin-3-ium-6-amine bromide?
The IUPAC name of 7H-purin-3-ium-6-amine bromide (CID 172829786) is 7H-purin-3-ium-6-amine bromide.
What is the SMILES notation for 7H-purin-3-ium-6-amine bromide?
The canonical SMILES for 7H-purin-3-ium-6-amine bromide is Nc1nc[nH+]c2nc[nH]c12.[Br-].
What is the InChIKey of 7H-purin-3-ium-6-amine bromide?
The InChIKey is VIYODBXHEBSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.BrH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H.
What are the key properties of 7H-purin-3-ium-6-amine bromide?
7H-purin-3-ium-6-amine bromide has a molecular weight of 216.04 g/mol, XLogP of -3.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-3-ium-6-amine bromide is sourced from PubChem (CID 172829786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).