6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine

C12H11BrN6 — CID 114785187

IUPAC6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
SMILESCc1ccc(Nc2nc(N)nc3nc[nH]c23)cc1Br
InChIInChI=1S/C12H11BrN6/c1-6-2-3-7(4-8(6)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19)
InChIKeyBDDCIXQZFSUQFG-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.75
Rot. Bonds2

About 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine

6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine (PubChem CID 114785187) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
PubChem CID114785187
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC Name6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
SMILESCc1ccc(Nc2nc(N)nc3nc[nH]c23)cc1Br
InChIInChI=1S/C12H11BrN6/c1-6-2-3-7(4-8(6)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19)
InChIKeyBDDCIXQZFSUQFG-UHFFFAOYSA-N
XLogP2.75
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
CID 14091121
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
4-[(2-amino-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107795021
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
6-N-(5-bromo-2-methoxyphenyl)-7H-purine-2,6-diamine
CID 114784409
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
N-(4-bromo-3-iodophenyl)-2-chloro-7H-purin-6-amine
CID 114261164

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine (CID 114785187) is 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine is Cc1ccc(Nc2nc(N)nc3nc[nH]c23)cc1Br.
What is the InChIKey of 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine?
The InChIKey is BDDCIXQZFSUQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6/c1-6-2-3-7(4-8(6)13)17-11-9-10(16-5-15-9)18-12(14)19-11/h2-5H,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine?
6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine has a molecular weight of 319.17 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).