chloromercury;2-methoxy-7H-purin-6-amine

C6H7ClHgN5O — CID 69287233

IUPACchloromercury;2-methoxy-7H-purin-6-amine
SMILESCOc1nc(N)c2[nH]cnc2n1.Cl[Hg]
InChIInChI=1S/C6H7N5O.ClH.Hg/c1-12-6-10-4(7)3-5(11-6)9-2-8-3;;/h2H,1H3,(H3,7,8,9,10,11);1H;/q;;+1/p-1
InChIKeyINXJFHCDAZWCHN-UHFFFAOYSA-M
MW401.20 g/mol
LogP0.63
Rot. Bonds1

About chloromercury;2-methoxy-7H-purin-6-amine

chloromercury;2-methoxy-7H-purin-6-amine (PubChem CID 69287233) has the molecular formula C6H7ClHgN5O and a molecular weight of 401.20 g/mol. Its IUPAC name is chloromercury;2-methoxy-7H-purin-6-amine.

Molecular Properties

Compound Namechloromercury;2-methoxy-7H-purin-6-amine
PubChem CID69287233
Molecular FormulaC6H7ClHgN5O
Molecular Weight401.20 g/mol
Exact Mass402.00
IUPAC Namechloromercury;2-methoxy-7H-purin-6-amine
SMILESCOc1nc(N)c2[nH]cnc2n1.Cl[Hg]
InChIInChI=1S/C6H7N5O.ClH.Hg/c1-12-6-10-4(7)3-5(11-6)9-2-8-3;;/h2H,1H3,(H3,7,8,9,10,11);1H;/q;;+1/p-1
InChIKeyINXJFHCDAZWCHN-UHFFFAOYSA-M
XLogP0.63
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-methoxy-7H-purine
CID 82391133
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
2-ethyl-7H-purin-6-amine
CID 19795383
2-tert-butyl-7H-purin-6-amine
CID 21493394
2-N-methyl-2-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
CID 174749279
6-methoxy-7H-purin-1-ium-2-amine
CID 173027672
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
CID 69033546
2-octyl-7H-purin-6-amine
CID 139890933
2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862

Frequently Asked Questions

What is the IUPAC name of chloromercury;2-methoxy-7H-purin-6-amine?
The IUPAC name of chloromercury;2-methoxy-7H-purin-6-amine (CID 69287233) is chloromercury;2-methoxy-7H-purin-6-amine.
What is the SMILES notation for chloromercury;2-methoxy-7H-purin-6-amine?
The canonical SMILES for chloromercury;2-methoxy-7H-purin-6-amine is COc1nc(N)c2[nH]cnc2n1.Cl[Hg].
What is the InChIKey of chloromercury;2-methoxy-7H-purin-6-amine?
The InChIKey is INXJFHCDAZWCHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7N5O.ClH.Hg/c1-12-6-10-4(7)3-5(11-6)9-2-8-3;;/h2H,1H3,(H3,7,8,9,10,11);1H;/q;;+1/p-1.
What are the key properties of chloromercury;2-methoxy-7H-purin-6-amine?
chloromercury;2-methoxy-7H-purin-6-amine has a molecular weight of 401.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromercury;2-methoxy-7H-purin-6-amine is sourced from PubChem (CID 69287233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).