1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate

C12H19N7O3Os — CID 173170169

IUPAC1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate
SMILESCn1c(=O)c2[nH]cnc2n(C)c1=O.NCCc1cnc[nH]1.O.[Os]
InChIInChI=1S/C7H8N4O2.C5H9N3.H2O.Os/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-2-1-5-3-7-4-8-5;;/h3H,1-2H3,(H,8,9);3-4H,1-2,6H2,(H,7,8);1H2;
InChIKeyUWSMDGGGJPYVFY-UHFFFAOYSA-N
MW499.56 g/mol
LogP-1.96
Rot. Bonds2

About 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate

1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate (PubChem CID 173170169) has the molecular formula C12H19N7O3Os and a molecular weight of 499.56 g/mol. Its IUPAC name is 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate.

Molecular Properties

Compound Name1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate
PubChem CID173170169
Molecular FormulaC12H19N7O3Os
Molecular Weight499.56 g/mol
Exact Mass501.12
IUPAC Name1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate
SMILESCn1c(=O)c2[nH]cnc2n(C)c1=O.NCCc1cnc[nH]1.O.[Os]
InChIInChI=1S/C7H8N4O2.C5H9N3.H2O.Os/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-2-1-5-3-7-4-8-5;;/h3H,1-2H3,(H,8,9);3-4H,1-2,6H2,(H,7,8);1H2;
InChIKeyUWSMDGGGJPYVFY-UHFFFAOYSA-N
XLogP-1.96
TPSA158.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate?
The IUPAC name of 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate (CID 173170169) is 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate.
What is the SMILES notation for 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate?
The canonical SMILES for 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate is Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCc1cnc[nH]1.O.[Os].
What is the InChIKey of 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate?
The InChIKey is UWSMDGGGJPYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2.C5H9N3.H2O.Os/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-2-1-5-3-7-4-8-5;;/h3H,1-2H3,(H,8,9);3-4H,1-2,6H2,(H,7,8);1H2;.
What are the key properties of 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate?
1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate has a molecular weight of 499.56 g/mol, XLogP of -1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate is sourced from PubChem (CID 173170169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).