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

C12H10BrN5 — CID 69241841

IUPACN-(2-bromo-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)c(Br)c1
InChIInChI=1S/C12H10BrN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyAWXXEUBFUCZJQA-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

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

N-(2-bromo-4-methylphenyl)-7H-purin-6-amine (PubChem CID 69241841) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-7H-purin-6-amine
PubChem CID69241841
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC NameN-(2-bromo-4-methylphenyl)-7H-purin-6-amine
SMILESCc1ccc(Nc2ncnc3nc[nH]c23)c(Br)c1
InChIInChI=1S/C12H10BrN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyAWXXEUBFUCZJQA-UHFFFAOYSA-N
XLogP3.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine;N-(2-fluoro-5-nitrophenyl)-7H-purin-6-amine
CID 69242790
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
CID 69239287
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-7H-purin-6-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-7H-purin-6-amine (CID 69241841) is N-(2-bromo-4-methylphenyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-7H-purin-6-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-7H-purin-6-amine is Cc1ccc(Nc2ncnc3nc[nH]c23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-7H-purin-6-amine?
The InChIKey is AWXXEUBFUCZJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c1-7-2-3-9(8(13)4-7)18-12-10-11(15-5-14-10)16-6-17-12/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-7H-purin-6-amine?
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine has a molecular weight of 304.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-7H-purin-6-amine is sourced from PubChem (CID 69241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).