6-bromo-2-methoxy-7H-purine

C6H5BrN4O — CID 82391133

IUPAC6-bromo-2-methoxy-7H-purine
SMILESCOc1nc(Br)c2[nH]cnc2n1
InChIInChI=1S/C6H5BrN4O/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H,8,9,10,11)
InChIKeyFJHSQASPQZJCOA-UHFFFAOYSA-N
MW229.04 g/mol
LogP1.12
Rot. Bonds1

About 6-bromo-2-methoxy-7H-purine

6-bromo-2-methoxy-7H-purine (PubChem CID 82391133) has the molecular formula C6H5BrN4O and a molecular weight of 229.04 g/mol. Its IUPAC name is 6-bromo-2-methoxy-7H-purine.

Molecular Properties

Compound Name6-bromo-2-methoxy-7H-purine
PubChem CID82391133
Molecular FormulaC6H5BrN4O
Molecular Weight229.04 g/mol
Exact Mass227.96
IUPAC Name6-bromo-2-methoxy-7H-purine
SMILESCOc1nc(Br)c2[nH]cnc2n1
InChIInChI=1S/C6H5BrN4O/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H,8,9,10,11)
InChIKeyFJHSQASPQZJCOA-UHFFFAOYSA-N
XLogP1.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-ethoxy-6-methyl-7H-purine
CID 119081784
6-methoxy-7H-purin-1-ium-2-amine
CID 173027672
6-methoxy-2-methylsulfanyl-7H-purine
CID 119082313
O-(2-aminooxy-7H-purin-6-yl)hydroxylamine
CID 141030940
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
2-(methoxymethyl)-1,7-dihydropurin-6-one
CID 150327797
6-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-7H-purine
CID 106999464
7-methyl-1H-imidazo[4,5-b]pyridine
CID 3966621
methyl 6-amino-7H-purine-2-carboxylate
CID 45089293
(2-methyl-7H-purin-6-yl)azanide;tungsten
CID 58774197

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-7H-purine?
The IUPAC name of 6-bromo-2-methoxy-7H-purine (CID 82391133) is 6-bromo-2-methoxy-7H-purine.
What is the SMILES notation for 6-bromo-2-methoxy-7H-purine?
The canonical SMILES for 6-bromo-2-methoxy-7H-purine is COc1nc(Br)c2[nH]cnc2n1.
What is the InChIKey of 6-bromo-2-methoxy-7H-purine?
The InChIKey is FJHSQASPQZJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4O/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2H,1H3,(H,8,9,10,11).
What are the key properties of 6-bromo-2-methoxy-7H-purine?
6-bromo-2-methoxy-7H-purine has a molecular weight of 229.04 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-7H-purine is sourced from PubChem (CID 82391133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).