6-methyl-7H-purine

C6H6N4 — CID 5287547

IUPAC6-methyl-7H-purine
SMILESCc1ncnc2nc[nH]c12
InChIInChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeySYMHUEFSSMBHJA-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.66
Rot. Bonds

About 6-methyl-7H-purine

6-methyl-7H-purine (PubChem CID 5287547) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 6-methyl-7H-purine.

Molecular Properties

Compound Name6-methyl-7H-purine
PubChem CID5287547
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name6-methyl-7H-purine
SMILESCc1ncnc2nc[nH]c12
InChIInChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKeySYMHUEFSSMBHJA-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7H-purine?
The IUPAC name of 6-methyl-7H-purine (CID 5287547) is 6-methyl-7H-purine.
What is the SMILES notation for 6-methyl-7H-purine?
The canonical SMILES for 6-methyl-7H-purine is Cc1ncnc2nc[nH]c12.
What is the InChIKey of 6-methyl-7H-purine?
The InChIKey is SYMHUEFSSMBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 6-methyl-7H-purine?
6-methyl-7H-purine has a molecular weight of 134.14 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7H-purine is sourced from PubChem (CID 5287547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).