(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane

C8H10N4O2Pb — CID 173012606

IUPAC(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
SMILESCn1c(=O)c2c(nc([PbH])n2C)n(C)c1=O
InChIInChI=1S/C8H9N4O2.Pb.H/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h1-3H3;;
InChIKeyWVNOIJRHMBIKND-UHFFFAOYSA-N
MW401.39 g/mol
LogP-2.50
Rot. Bonds

About (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane

(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane (PubChem CID 173012606) has the molecular formula C8H10N4O2Pb and a molecular weight of 401.39 g/mol. Its IUPAC name is (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane.

Molecular Properties

Compound Name(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
PubChem CID173012606
Molecular FormulaC8H10N4O2Pb
Molecular Weight401.39 g/mol
Exact Mass402.06
IUPAC Name(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane
SMILESCn1c(=O)c2c(nc([PbH])n2C)n(C)c1=O
InChIInChI=1S/C8H9N4O2.Pb.H/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h1-3H3;;
InChIKeyWVNOIJRHMBIKND-UHFFFAOYSA-N
XLogP-2.50
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,7-trimethyl-8-methylsulfonylpurine-2,6-dione
CID 940119
1,3,7-trimethyl-8-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylmethylsulfanyl]purine-2,6-dione
CID 3573251
1,3,7-trimethyl-8-(methylaminomethyl)purine-2,6-dione
CID 82463865
calcium;hydride;1,3,7-trimethyl-2,6-dioxopurine-8-carboxylic acid
CID 173389056
1,3,7-trimethyl-8-propanoylpurine-2,6-dione
CID 15928599
8-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
CID 71717928
1,3-dimethyl-7-(111C)methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
CID 5461878
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
CID 22994
8-butanoyl-1,3,7-trimethylpurine-2,6-dione
CID 15928600
8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione
CID 40535568
1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 706307
1,3,7-trimethyl-8-(1H-pyrazol-5-yl)purine-2,6-dione
CID 175188043

Frequently Asked Questions

What is the IUPAC name of (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane?
The IUPAC name of (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane (CID 173012606) is (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane.
What is the SMILES notation for (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane?
The canonical SMILES for (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane is Cn1c(=O)c2c(nc([PbH])n2C)n(C)c1=O.
What is the InChIKey of (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane?
The InChIKey is WVNOIJRHMBIKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N4O2.Pb.H/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h1-3H3;;.
What are the key properties of (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane?
(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane has a molecular weight of 401.39 g/mol, XLogP of -2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,7-trimethyl-2,6-dioxopurin-8-yl)-λ2-plumbane is sourced from PubChem (CID 173012606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).