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

C6H6N4O2 — CID 67863509

IUPAC6-methoxy-3,7-dihydropurin-2-one
SMILESCOc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C6H6N4O2/c1-12-5-3-4(8-2-7-3)9-6(11)10-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKeySKOSANOVOQSHIT-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.35
Rot. Bonds1

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

6-methoxy-3,7-dihydropurin-2-one (PubChem CID 67863509) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 6-methoxy-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-methoxy-3,7-dihydropurin-2-one
PubChem CID67863509
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name6-methoxy-3,7-dihydropurin-2-one
SMILESCOc1nc(=O)[nH]c2nc[nH]c12
InChIInChI=1S/C6H6N4O2/c1-12-5-3-4(8-2-7-3)9-6(11)10-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKeySKOSANOVOQSHIT-UHFFFAOYSA-N
XLogP-0.35
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,7-dihydropurin-2-one?
The IUPAC name of 6-methoxy-3,7-dihydropurin-2-one (CID 67863509) is 6-methoxy-3,7-dihydropurin-2-one.
What is the SMILES notation for 6-methoxy-3,7-dihydropurin-2-one?
The canonical SMILES for 6-methoxy-3,7-dihydropurin-2-one is COc1nc(=O)[nH]c2nc[nH]c12.
What is the InChIKey of 6-methoxy-3,7-dihydropurin-2-one?
The InChIKey is SKOSANOVOQSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-12-5-3-4(8-2-7-3)9-6(11)10-5/h2H,1H3,(H2,7,8,9,10,11).
What are the key properties of 6-methoxy-3,7-dihydropurin-2-one?
6-methoxy-3,7-dihydropurin-2-one has a molecular weight of 166.14 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,7-dihydropurin-2-one is sourced from PubChem (CID 67863509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).