tributyl-(6-chloro-9-methylpurin-2-yl)stannane

C18H31ClN4Sn — CID 10790034

IUPACtributyl-(6-chloro-9-methylpurin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(Cl)c2ncn(C)c2n1
InChIInChI=1S/C6H4ClN4.3C4H9.Sn/c1-11-3-10-4-5(7)8-2-9-6(4)11;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyWFVFAQWXTJQXAF-UHFFFAOYSA-N
MW457.64 g/mol
LogP5.07
Rot. Bonds10

About tributyl-(6-chloro-9-methylpurin-2-yl)stannane

tributyl-(6-chloro-9-methylpurin-2-yl)stannane (PubChem CID 10790034) has the molecular formula C18H31ClN4Sn and a molecular weight of 457.64 g/mol. Its IUPAC name is tributyl-(6-chloro-9-methylpurin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-chloro-9-methylpurin-2-yl)stannane
PubChem CID10790034
Molecular FormulaC18H31ClN4Sn
Molecular Weight457.64 g/mol
Exact Mass458.13
IUPAC Nametributyl-(6-chloro-9-methylpurin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc(Cl)c2ncn(C)c2n1
InChIInChI=1S/C6H4ClN4.3C4H9.Sn/c1-11-3-10-4-5(7)8-2-9-6(4)11;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;
InChIKeyWFVFAQWXTJQXAF-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
CID 141284313
2-but-1-ynyl-6-chloro-9-methylpurine
CID 71745307
6-chloro-9-pentylpurin-2-amine
CID 139201177
2-[(6-chloro-9-methylpurin-2-yl)amino]acetamide
CID 59476525
5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154
7-chloro-3,5-dimethylimidazo[4,5-b]pyridine
CID 83680448
2-chloro-1,9-dimethylpurin-6-one
CID 127263212
tributyl-(2,5-dimethylpyrazol-3-yl)stannane
CID 59164497
7-chloro-6-ethyl-3-methylimidazo[4,5-b]pyridine
CID 135253364
6-(1-butylbenzimidazol-5-yl)-2-chloro-9-methylpurine
CID 89304381
tributyl-(4-methylsulfanyl-1,3,5-triazin-2-yl)stannane
CID 172784072
tributyl-(1-methylpyrazol-3-yl)stannane
CID 19028447

Frequently Asked Questions

What is the IUPAC name of tributyl-(6-chloro-9-methylpurin-2-yl)stannane?
The IUPAC name of tributyl-(6-chloro-9-methylpurin-2-yl)stannane (CID 10790034) is tributyl-(6-chloro-9-methylpurin-2-yl)stannane.
What is the SMILES notation for tributyl-(6-chloro-9-methylpurin-2-yl)stannane?
The canonical SMILES for tributyl-(6-chloro-9-methylpurin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc(Cl)c2ncn(C)c2n1.
What is the InChIKey of tributyl-(6-chloro-9-methylpurin-2-yl)stannane?
The InChIKey is WFVFAQWXTJQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN4.3C4H9.Sn/c1-11-3-10-4-5(7)8-2-9-6(4)11;3*1-3-4-2;/h3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-chloro-9-methylpurin-2-yl)stannane?
tributyl-(6-chloro-9-methylpurin-2-yl)stannane has a molecular weight of 457.64 g/mol, XLogP of 5.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-chloro-9-methylpurin-2-yl)stannane is sourced from PubChem (CID 10790034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).