7-(trideuteriomethyl)purine

C6H6N4 — CID 91144219

IUPAC7-(trideuteriomethyl)purine
SMILES[2H]C([2H])([2H])n1cnc2ncncc21
InChIInChI=1S/C6H6N4/c1-10-4-9-6-5(10)2-7-3-8-6/h2-4H,1H3/i1D3
InChIKeyRRAYVESVMOMOEM-FIBGUPNXSA-N
MW137.16 g/mol
LogP0.36
Rot. Bonds1

About 7-(trideuteriomethyl)purine

7-(trideuteriomethyl)purine (PubChem CID 91144219) has the molecular formula C6H6N4 and a molecular weight of 137.16 g/mol. Its IUPAC name is 7-(trideuteriomethyl)purine.

Molecular Properties

Compound Name7-(trideuteriomethyl)purine
PubChem CID91144219
Molecular FormulaC6H6N4
Molecular Weight137.16 g/mol
Exact Mass137.08
IUPAC Name7-(trideuteriomethyl)purine
SMILES[2H]C([2H])([2H])n1cnc2ncncc21
InChIInChI=1S/C6H6N4/c1-10-4-9-6-5(10)2-7-3-8-6/h2-4H,1H3/i1D3
InChIKeyRRAYVESVMOMOEM-FIBGUPNXSA-N
XLogP0.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(trideuteriomethyl)purine?
The IUPAC name of 7-(trideuteriomethyl)purine (CID 91144219) is 7-(trideuteriomethyl)purine.
What is the SMILES notation for 7-(trideuteriomethyl)purine?
The canonical SMILES for 7-(trideuteriomethyl)purine is [2H]C([2H])([2H])n1cnc2ncncc21.
What is the InChIKey of 7-(trideuteriomethyl)purine?
The InChIKey is RRAYVESVMOMOEM-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H6N4/c1-10-4-9-6-5(10)2-7-3-8-6/h2-4H,1H3/i1D3.
What are the key properties of 7-(trideuteriomethyl)purine?
7-(trideuteriomethyl)purine has a molecular weight of 137.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trideuteriomethyl)purine is sourced from PubChem (CID 91144219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).