2-methoxy-7H-purine

C6H6N4O — CID 13032372

IUPAC2-methoxy-7H-purine
SMILESCOc1ncc2[nH]cnc2n1
InChIInChI=1S/C6H6N4O/c1-11-6-7-2-4-5(10-6)9-3-8-4/h2-3H,1H3,(H,7,8,9,10)
InChIKeyHKCXKNGHGLCFHK-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.36
Rot. Bonds1

About 2-methoxy-7H-purine

2-methoxy-7H-purine (PubChem CID 13032372) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-methoxy-7H-purine.

Molecular Properties

Compound Name2-methoxy-7H-purine
PubChem CID13032372
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-methoxy-7H-purine
SMILESCOc1ncc2[nH]cnc2n1
InChIInChI=1S/C6H6N4O/c1-11-6-7-2-4-5(10-6)9-3-8-4/h2-3H,1H3,(H,7,8,9,10)
InChIKeyHKCXKNGHGLCFHK-UHFFFAOYSA-N
XLogP0.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7H-purine?
The IUPAC name of 2-methoxy-7H-purine (CID 13032372) is 2-methoxy-7H-purine.
What is the SMILES notation for 2-methoxy-7H-purine?
The canonical SMILES for 2-methoxy-7H-purine is COc1ncc2[nH]cnc2n1.
What is the InChIKey of 2-methoxy-7H-purine?
The InChIKey is HKCXKNGHGLCFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-11-6-7-2-4-5(10-6)9-3-8-4/h2-3H,1H3,(H,7,8,9,10).
What are the key properties of 2-methoxy-7H-purine?
2-methoxy-7H-purine has a molecular weight of 150.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7H-purine is sourced from PubChem (CID 13032372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).