7H-purin-6-amine;hydrochloride

C5H6ClN5 — CID 169432832

IUPAC7H-purin-6-amine;hydrochloride
SMILESCl.N[13c]1n[13cH]n[13c]2n[13cH][nH][13c]12
InChIInChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H/i1+1,2+1,3+1,4+1,5+1;
InChIKeyUQVDQSWZQXDUJB-JFGXUQBHSA-N
MW176.55 g/mol
LogP0.36
Rot. Bonds

About 7H-purin-6-amine;hydrochloride

7H-purin-6-amine;hydrochloride (PubChem CID 169432832) has the molecular formula C5H6ClN5 and a molecular weight of 176.55 g/mol. Its IUPAC name is 7H-purin-6-amine;hydrochloride.

Molecular Properties

Compound Name7H-purin-6-amine;hydrochloride
PubChem CID169432832
Molecular FormulaC5H6ClN5
Molecular Weight176.55 g/mol
Exact Mass176.05
IUPAC Name7H-purin-6-amine;hydrochloride
SMILESCl.N[13c]1n[13cH]n[13c]2n[13cH][nH][13c]12
InChIInChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H/i1+1,2+1,3+1,4+1,5+1;
InChIKeyUQVDQSWZQXDUJB-JFGXUQBHSA-N
XLogP0.36
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.55
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67796265
CID 67796265
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bis(7H-purin-6-amine);sulfate
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CID 144555996
methane;2-methyl-1,7-dihydropurin-6-one;7H-purin-6-amine
CID 159357752
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CID 141436047
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Frequently Asked Questions

What is the IUPAC name of 7H-purin-6-amine;hydrochloride?
The IUPAC name of 7H-purin-6-amine;hydrochloride (CID 169432832) is 7H-purin-6-amine;hydrochloride.
What is the SMILES notation for 7H-purin-6-amine;hydrochloride?
The canonical SMILES for 7H-purin-6-amine;hydrochloride is Cl.N[13c]1n[13cH]n[13c]2n[13cH][nH][13c]12.
What is the InChIKey of 7H-purin-6-amine;hydrochloride?
The InChIKey is UQVDQSWZQXDUJB-JFGXUQBHSA-N. The full InChI is InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H/i1+1,2+1,3+1,4+1,5+1;.
What are the key properties of 7H-purin-6-amine;hydrochloride?
7H-purin-6-amine;hydrochloride has a molecular weight of 176.55 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-6-amine;hydrochloride is sourced from PubChem (CID 169432832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).