6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine

C13H12BrClN6 — CID 114786250

IUPAC6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(Cl)c(C)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C13H12BrClN6/c1-6-3-7(14)9(4-8(6)15)19-12-10-11(18-5-17-10)20-13(16-2)21-12/h3-5H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyQARCZLYMLFGEQD-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.86
Rot. Bonds3

About 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114786250) has the molecular formula C13H12BrClN6 and a molecular weight of 367.64 g/mol. Its IUPAC name is 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114786250
Molecular FormulaC13H12BrClN6
Molecular Weight367.64 g/mol
Exact Mass366.00
IUPAC Name6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(Cl)c(C)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C13H12BrClN6/c1-6-3-7(14)9(4-8(6)15)19-12-10-11(18-5-17-10)20-13(16-2)21-12/h3-5H,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyQARCZLYMLFGEQD-UHFFFAOYSA-N
XLogP3.86
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine (CID 114786250) is 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine is CNc1nc(Nc2cc(Cl)c(C)cc2Br)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is QARCZLYMLFGEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN6/c1-6-3-7(14)9(4-8(6)15)19-12-10-11(18-5-17-10)20-13(16-2)21-12/h3-5H,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 367.64 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114786250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).