8-bromo-6-chloro-2-methyl-7H-purine

C6H4BrClN4 — CID 83900191

IUPAC8-bromo-6-chloro-2-methyl-7H-purine
SMILESCc1nc(Cl)c2[nH]c(Br)nc2n1
InChIInChI=1S/C6H4BrClN4/c1-2-9-4(8)3-5(10-2)12-6(7)11-3/h1H3,(H,9,10,11,12)
InChIKeyNAFJIDLXBITPBB-UHFFFAOYSA-N
MW247.48 g/mol
LogP2.08
Rot. Bonds

About 8-bromo-6-chloro-2-methyl-7H-purine

8-bromo-6-chloro-2-methyl-7H-purine (PubChem CID 83900191) has the molecular formula C6H4BrClN4 and a molecular weight of 247.48 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-methyl-7H-purine.

Molecular Properties

Compound Name8-bromo-6-chloro-2-methyl-7H-purine
PubChem CID83900191
Molecular FormulaC6H4BrClN4
Molecular Weight247.48 g/mol
Exact Mass245.93
IUPAC Name8-bromo-6-chloro-2-methyl-7H-purine
SMILESCc1nc(Cl)c2[nH]c(Br)nc2n1
InChIInChI=1S/C6H4BrClN4/c1-2-9-4(8)3-5(10-2)12-6(7)11-3/h1H3,(H,9,10,11,12)
InChIKeyNAFJIDLXBITPBB-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-methyl-7H-purine?
The IUPAC name of 8-bromo-6-chloro-2-methyl-7H-purine (CID 83900191) is 8-bromo-6-chloro-2-methyl-7H-purine.
What is the SMILES notation for 8-bromo-6-chloro-2-methyl-7H-purine?
The canonical SMILES for 8-bromo-6-chloro-2-methyl-7H-purine is Cc1nc(Cl)c2[nH]c(Br)nc2n1.
What is the InChIKey of 8-bromo-6-chloro-2-methyl-7H-purine?
The InChIKey is NAFJIDLXBITPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN4/c1-2-9-4(8)3-5(10-2)12-6(7)11-3/h1H3,(H,9,10,11,12).
What are the key properties of 8-bromo-6-chloro-2-methyl-7H-purine?
8-bromo-6-chloro-2-methyl-7H-purine has a molecular weight of 247.48 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-methyl-7H-purine is sourced from PubChem (CID 83900191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).