6-phenylmethoxy-7H-purine

C12H10N4O — CID 853677

IUPAC6-phenylmethoxy-7H-purine
SMILESc1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
InChIKeyZZZXGPGVDJDFCJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.93
Rot. Bonds3

About 6-phenylmethoxy-7H-purine

6-phenylmethoxy-7H-purine (PubChem CID 853677) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-phenylmethoxy-7H-purine.

Molecular Properties

Compound Name6-phenylmethoxy-7H-purine
PubChem CID853677
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-phenylmethoxy-7H-purine
SMILESc1ccc(COc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
InChIKeyZZZXGPGVDJDFCJ-UHFFFAOYSA-N
XLogP1.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-7H-purine?
The IUPAC name of 6-phenylmethoxy-7H-purine (CID 853677) is 6-phenylmethoxy-7H-purine.
What is the SMILES notation for 6-phenylmethoxy-7H-purine?
The canonical SMILES for 6-phenylmethoxy-7H-purine is c1ccc(COc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-phenylmethoxy-7H-purine?
The InChIKey is ZZZXGPGVDJDFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16).
What are the key properties of 6-phenylmethoxy-7H-purine?
6-phenylmethoxy-7H-purine has a molecular weight of 226.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-7H-purine is sourced from PubChem (CID 853677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).