6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine

C11H8BrClN6 — CID 114785747

IUPAC6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C11H8BrClN6/c12-6-3-5(13)1-2-7(6)17-10-8-9(16-4-15-8)18-11(14)19-10/h1-4H,(H4,14,15,16,17,18,19)
InChIKeyQEKWEKLBISLCHU-UHFFFAOYSA-N
MW339.58 g/mol
LogP3.09
Rot. Bonds2

About 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine

6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine (PubChem CID 114785747) has the molecular formula C11H8BrClN6 and a molecular weight of 339.58 g/mol. Its IUPAC name is 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
PubChem CID114785747
Molecular FormulaC11H8BrClN6
Molecular Weight339.58 g/mol
Exact Mass337.97
IUPAC Name6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2Br)c2[nH]cnc2n1
InChIInChI=1S/C11H8BrClN6/c12-6-3-5(13)1-2-7(6)17-10-8-9(16-4-15-8)18-11(14)19-10/h1-4H,(H4,14,15,16,17,18,19)
InChIKeyQEKWEKLBISLCHU-UHFFFAOYSA-N
XLogP3.09
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
CID 114785187
3-bromo-4-[(2-chloro-7H-purin-6-yl)amino]benzonitrile
CID 107792464
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
6-N-quinolin-5-yl-7H-purine-2,6-diamine
CID 114783380
2-[(2-amino-7H-purin-6-yl)amino]-6-fluorobenzonitrile
CID 114783970
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783346
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine (CID 114785747) is 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine is Nc1nc(Nc2ccc(Cl)cc2Br)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine?
The InChIKey is QEKWEKLBISLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN6/c12-6-3-5(13)1-2-7(6)17-10-8-9(16-4-15-8)18-11(14)19-10/h1-4H,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine?
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine has a molecular weight of 339.58 g/mol, XLogP of 3.09, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).