6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine

C12H10Br2N6 — CID 107604396

IUPAC6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2c(Br)cccc2Br)c2[nH]cnc2n1
InChIInChI=1S/C12H10Br2N6/c1-15-12-19-10-9(16-5-17-10)11(20-12)18-8-6(13)3-2-4-7(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)
InChIKeyHKBNHJDAEUUQOS-UHFFFAOYSA-N
MW398.06 g/mol
LogP3.66
Rot. Bonds3

About 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 107604396) has the molecular formula C12H10Br2N6 and a molecular weight of 398.06 g/mol. Its IUPAC name is 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID107604396
Molecular FormulaC12H10Br2N6
Molecular Weight398.06 g/mol
Exact Mass395.93
IUPAC Name6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2c(Br)cccc2Br)c2[nH]cnc2n1
InChIInChI=1S/C12H10Br2N6/c1-15-12-19-10-9(16-5-17-10)11(20-12)18-8-6(13)3-2-4-7(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)
InChIKeyHKBNHJDAEUUQOS-UHFFFAOYSA-N
XLogP3.66
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.06
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114786250
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-N-[2-(5-bromothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 106042781
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine (CID 107604396) is 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine is CNc1nc(Nc2c(Br)cccc2Br)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is HKBNHJDAEUUQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N6/c1-15-12-19-10-9(16-5-17-10)11(20-12)18-8-6(13)3-2-4-7(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 398.06 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 107604396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).