6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine

C15H15Br2N5O3 — CID 11294416

IUPAC6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Br)nc(N)nc32)c(Br)c(OC)c1OC
InChIInChI=1S/C15H15Br2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)
InChIKeyZPHYUOVEFQKPCV-UHFFFAOYSA-N
MW473.13 g/mol
LogP3.01
Rot. Bonds5

About 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine

6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine (PubChem CID 11294416) has the molecular formula C15H15Br2N5O3 and a molecular weight of 473.13 g/mol. Its IUPAC name is 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
PubChem CID11294416
Molecular FormulaC15H15Br2N5O3
Molecular Weight473.13 g/mol
Exact Mass470.95
IUPAC Name6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
SMILESCOc1cc(Cn2cnc3c(Br)nc(N)nc32)c(Br)c(OC)c1OC
InChIInChI=1S/C15H15Br2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)
InChIKeyZPHYUOVEFQKPCV-UHFFFAOYSA-N
XLogP3.01
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.13
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The IUPAC name of 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine (CID 11294416) is 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine.
What is the SMILES notation for 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The canonical SMILES for 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine is COc1cc(Cn2cnc3c(Br)nc(N)nc32)c(Br)c(OC)c1OC.
What is the InChIKey of 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
The InChIKey is ZPHYUOVEFQKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N5O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21).
What are the key properties of 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine?
6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine has a molecular weight of 473.13 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine is sourced from PubChem (CID 11294416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).