6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine

C12H9BrClN5O — CID 114787330

IUPAC6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C12H9BrClN5O/c1-15-12-18-10-9(16-5-17-10)11(19-12)20-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyIMLRZKMJVKTZLA-UHFFFAOYSA-N
MW354.60 g/mol
LogP3.60
Rot. Bonds3

About 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine

6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine (PubChem CID 114787330) has the molecular formula C12H9BrClN5O and a molecular weight of 354.60 g/mol. Its IUPAC name is 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
PubChem CID114787330
Molecular FormulaC12H9BrClN5O
Molecular Weight354.60 g/mol
Exact Mass352.97
IUPAC Name6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(Oc2ccc(Cl)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C12H9BrClN5O/c1-15-12-18-10-9(16-5-17-10)11(19-12)20-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H2,15,16,17,18,19)
InChIKeyIMLRZKMJVKTZLA-UHFFFAOYSA-N
XLogP3.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114788112
6-(4-bromo-3-fluorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787796
6-(5-bromo-2,3-difluorophenoxy)-N-methyl-7H-purin-2-amine
CID 107102588
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-(5-bromo-2-fluorophenoxy)-N-ethyl-7H-purin-2-amine
CID 114788114
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-methyl-6-(1-propylpyrazol-4-yl)oxy-7H-purin-2-amine
CID 114788091
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine (CID 114787330) is 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine is CNc1nc(Oc2ccc(Cl)cc2Br)c2[nH]cnc2n1.
What is the InChIKey of 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine?
The InChIKey is IMLRZKMJVKTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN5O/c1-15-12-18-10-9(16-5-17-10)11(19-12)20-8-3-2-6(14)4-7(8)13/h2-5H,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine?
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine has a molecular weight of 354.60 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114787330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).