methylidenepalladium;1,3,7-trimethylpurine-2,6-dione

C9H12N4O2Pd — CID 175189767

IUPACmethylidenepalladium;1,3,7-trimethylpurine-2,6-dione
SMILESC=[Pd].Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4O2.CH2.Pd/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h4H,1-3H3;1H2;
InChIKeyTTWZHOYLHGLYOS-UHFFFAOYSA-N
MW314.64 g/mol
LogP-1.06
Rot. Bonds

About methylidenepalladium;1,3,7-trimethylpurine-2,6-dione

methylidenepalladium;1,3,7-trimethylpurine-2,6-dione (PubChem CID 175189767) has the molecular formula C9H12N4O2Pd and a molecular weight of 314.64 g/mol. Its IUPAC name is methylidenepalladium;1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Namemethylidenepalladium;1,3,7-trimethylpurine-2,6-dione
PubChem CID175189767
Molecular FormulaC9H12N4O2Pd
Molecular Weight314.64 g/mol
Exact Mass314.00
IUPAC Namemethylidenepalladium;1,3,7-trimethylpurine-2,6-dione
SMILESC=[Pd].Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4O2.CH2.Pd/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h4H,1-3H3;1H2;
InChIKeyTTWZHOYLHGLYOS-UHFFFAOYSA-N
XLogP-1.06
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.64
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methylidenepalladium;1,3,7-trimethylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,7-trimethylpurine-2,6-dione
CID 131953138
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
hydroxysilane;1,3,7-trimethylpurine-2,6-dione
CID 159880606
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
acetic acid;propan-2-one;1,3,7-trimethylpurine-2,6-dione
CID 70407407
3-amino-1,7-dimethylpurine-2,6-dione
CID 14612981
7-methyl-1,3-bis(trideuteriomethyl)purine-2,6-dione
CID 13001301
butane-1,3-diol;1,3,7-trimethylpurine-2,6-dione
CID 174188609
7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione;1,3,7-trimethylpurine-2,6-dione
CID 69348830
2,2,3,3,4,4,5,5-octafluorohexanedioic acid;bis(1,3,7-trimethylpurine-2,6-dione)
CID 139144451
7,9-dihydro-3H-purine-2,6,8-trione;1,3,7-trimethylpurine-2,6-dione
CID 90404483

Frequently Asked Questions

What is the IUPAC name of methylidenepalladium;1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of methylidenepalladium;1,3,7-trimethylpurine-2,6-dione (CID 175189767) is methylidenepalladium;1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for methylidenepalladium;1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for methylidenepalladium;1,3,7-trimethylpurine-2,6-dione is C=[Pd].Cn1c(=O)c2c(ncn2C)n(C)c1=O.
What is the InChIKey of methylidenepalladium;1,3,7-trimethylpurine-2,6-dione?
The InChIKey is TTWZHOYLHGLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2.CH2.Pd/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h4H,1-3H3;1H2;.
What are the key properties of methylidenepalladium;1,3,7-trimethylpurine-2,6-dione?
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione has a molecular weight of 314.64 g/mol, XLogP of -1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylidenepalladium;1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 175189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).