6-phenylmethoxy-3,7-dihydropurin-2-one

C12H10N4O2 — CID 10399462

IUPAC6-phenylmethoxy-3,7-dihydropurin-2-one
SMILESO=c1nc(OCc2ccccc2)c2[nH]cnc2[nH]1
InChIInChI=1S/C12H10N4O2/c17-12-15-10-9(13-7-14-10)11(16-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)
InChIKeyPENMSIXFJKWWRI-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.23
Rot. Bonds3

About 6-phenylmethoxy-3,7-dihydropurin-2-one

6-phenylmethoxy-3,7-dihydropurin-2-one (PubChem CID 10399462) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-phenylmethoxy-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-phenylmethoxy-3,7-dihydropurin-2-one
PubChem CID10399462
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name6-phenylmethoxy-3,7-dihydropurin-2-one
SMILESO=c1nc(OCc2ccccc2)c2[nH]cnc2[nH]1
InChIInChI=1S/C12H10N4O2/c17-12-15-10-9(13-7-14-10)11(16-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17)
InChIKeyPENMSIXFJKWWRI-UHFFFAOYSA-N
XLogP1.23
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-3,7-dihydropurin-2-one?
The IUPAC name of 6-phenylmethoxy-3,7-dihydropurin-2-one (CID 10399462) is 6-phenylmethoxy-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-phenylmethoxy-3,7-dihydropurin-2-one?
The canonical SMILES for 6-phenylmethoxy-3,7-dihydropurin-2-one is O=c1nc(OCc2ccccc2)c2[nH]cnc2[nH]1.
What is the InChIKey of 6-phenylmethoxy-3,7-dihydropurin-2-one?
The InChIKey is PENMSIXFJKWWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c17-12-15-10-9(13-7-14-10)11(16-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14,15,16,17).
What are the key properties of 6-phenylmethoxy-3,7-dihydropurin-2-one?
6-phenylmethoxy-3,7-dihydropurin-2-one has a molecular weight of 242.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-3,7-dihydropurin-2-one is sourced from PubChem (CID 10399462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).