2,7,8-trimethylpurine

C8H10N4 — CID 10844724

IUPAC2,7,8-trimethylpurine
SMILESCc1ncc2c(n1)nc(C)n2C
InChIInChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)11-6(2)12(7)3/h4H,1-3H3
InChIKeyOEKARZQMWOOFBX-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds

About 2,7,8-trimethylpurine

2,7,8-trimethylpurine (PubChem CID 10844724) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2,7,8-trimethylpurine.

Molecular Properties

Compound Name2,7,8-trimethylpurine
PubChem CID10844724
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2,7,8-trimethylpurine
SMILESCc1ncc2c(n1)nc(C)n2C
InChIInChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)11-6(2)12(7)3/h4H,1-3H3
InChIKeyOEKARZQMWOOFBX-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethylpurine?
The IUPAC name of 2,7,8-trimethylpurine (CID 10844724) is 2,7,8-trimethylpurine.
What is the SMILES notation for 2,7,8-trimethylpurine?
The canonical SMILES for 2,7,8-trimethylpurine is Cc1ncc2c(n1)nc(C)n2C.
What is the InChIKey of 2,7,8-trimethylpurine?
The InChIKey is OEKARZQMWOOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-9-4-7-8(10-5)11-6(2)12(7)3/h4H,1-3H3.
What are the key properties of 2,7,8-trimethylpurine?
2,7,8-trimethylpurine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethylpurine is sourced from PubChem (CID 10844724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).