8-[(3-bromophenyl)methyl]-7H-purin-6-amine

C12H10BrN5 — CID 114608290

IUPAC8-[(3-bromophenyl)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(Cc3cccc(Br)c3)[nH]c12
InChIInChI=1S/C12H10BrN5/c13-8-3-1-2-7(4-8)5-9-17-10-11(14)15-6-16-12(10)18-9/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyNXIPGZJANCSUGJ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.29
Rot. Bonds2

About 8-[(3-bromophenyl)methyl]-7H-purin-6-amine

8-[(3-bromophenyl)methyl]-7H-purin-6-amine (PubChem CID 114608290) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 8-[(3-bromophenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[(3-bromophenyl)methyl]-7H-purin-6-amine
PubChem CID114608290
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name8-[(3-bromophenyl)methyl]-7H-purin-6-amine
SMILESNc1ncnc2nc(Cc3cccc(Br)c3)[nH]c12
InChIInChI=1S/C12H10BrN5/c13-8-3-1-2-7(4-8)5-9-17-10-11(14)15-6-16-12(10)18-9/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKeyNXIPGZJANCSUGJ-UHFFFAOYSA-N
XLogP2.29
TPSA80.48 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-7H-purin-6-amine;ethane
CID 144791619
8-(1,3-benzodioxol-5-ylmethyl)-7H-purin-6-amine
CID 171714313
8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795297
2-[(3-bromophenyl)methyl]-1H-benzimidazol-4-amine
CID 63690491
2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822052
2-(6-amino-7H-purin-8-yl)-5-bromophenol
CID 137003589
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
8-[2-[(3-bromophenyl)methyl]-5-(6-bromo-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 141252967
8-(3-bromo-2-chlorophenyl)-7H-purin-6-amine
CID 114608330
2-[(3-bromophenyl)methyl]-6-tert-butyl-1H-pyrimidine-4-thione
CID 106476023
3-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 55228667

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromophenyl)methyl]-7H-purin-6-amine?
The IUPAC name of 8-[(3-bromophenyl)methyl]-7H-purin-6-amine (CID 114608290) is 8-[(3-bromophenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for 8-[(3-bromophenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for 8-[(3-bromophenyl)methyl]-7H-purin-6-amine is Nc1ncnc2nc(Cc3cccc(Br)c3)[nH]c12.
What is the InChIKey of 8-[(3-bromophenyl)methyl]-7H-purin-6-amine?
The InChIKey is NXIPGZJANCSUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-8-3-1-2-7(4-8)5-9-17-10-11(14)15-6-16-12(10)18-9/h1-4,6H,5H2,(H3,14,15,16,17,18).
What are the key properties of 8-[(3-bromophenyl)methyl]-7H-purin-6-amine?
8-[(3-bromophenyl)methyl]-7H-purin-6-amine has a molecular weight of 304.15 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromophenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 114608290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).