6-benzylpurin-9-amine;copper

C12H11CuN5 — CID 174669036

IUPAC6-benzylpurin-9-amine;copper
SMILESNn1cnc2c(Cc3ccccc3)ncnc21.[Cu]
InChIInChI=1S/C12H11N5.Cu/c13-17-8-16-11-10(14-7-15-12(11)17)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,13H2;
InChIKeyRTWZCVMJXLMOPU-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.13
Rot. Bonds2

About 6-benzylpurin-9-amine;copper

6-benzylpurin-9-amine;copper (PubChem CID 174669036) has the molecular formula C12H11CuN5 and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-benzylpurin-9-amine;copper.

Molecular Properties

Compound Name6-benzylpurin-9-amine;copper
PubChem CID174669036
Molecular FormulaC12H11CuN5
Molecular Weight288.80 g/mol
Exact Mass288.03
IUPAC Name6-benzylpurin-9-amine;copper
SMILESNn1cnc2c(Cc3ccccc3)ncnc21.[Cu]
InChIInChI=1S/C12H11N5.Cu/c13-17-8-16-11-10(14-7-15-12(11)17)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,13H2;
InChIKeyRTWZCVMJXLMOPU-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-methylpurin-9-amine
CID 175037804
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
4-benzyl-6,7-dimethylpteridine
CID 154180418
6,9-dibenzyl-2-chloropurine
CID 11759453
(9-benzylpurin-6-yl)methyl 2,2-dimethylpropanoate
CID 101351358
6-benzyl-8-methyl-9-(oxan-2-yl)purine
CID 170077319
methyl 3-(9-benzylpurin-6-yl)-2-methylpropanoate
CID 11197660
6-benzyl-8-methyl-7H-purine
CID 11481499
3-benzyl-4-ethyl-1-methylpyrazole
CID 121277938
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296
9-benzyl-6-[(E)-2-(9-benzylpurin-6-yl)ethenyl]purine
CID 12067796
4,6-dibenzylpyrimidine
CID 59375742

Frequently Asked Questions

What is the IUPAC name of 6-benzylpurin-9-amine;copper?
The IUPAC name of 6-benzylpurin-9-amine;copper (CID 174669036) is 6-benzylpurin-9-amine;copper.
What is the SMILES notation for 6-benzylpurin-9-amine;copper?
The canonical SMILES for 6-benzylpurin-9-amine;copper is Nn1cnc2c(Cc3ccccc3)ncnc21.[Cu].
What is the InChIKey of 6-benzylpurin-9-amine;copper?
The InChIKey is RTWZCVMJXLMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.Cu/c13-17-8-16-11-10(14-7-15-12(11)17)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,13H2;.
What are the key properties of 6-benzylpurin-9-amine;copper?
6-benzylpurin-9-amine;copper has a molecular weight of 288.80 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylpurin-9-amine;copper is sourced from PubChem (CID 174669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).