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

C6H7N5O2 — CID 67862786

IUPAC8-amino-6-methoxy-3,7-dihydropurin-2-one
SMILESCOc1nc(=O)[nH]c2nc(N)[nH]c12
InChIInChI=1S/C6H7N5O2/c1-13-4-2-3(9-5(7)8-2)10-6(12)11-4/h1H3,(H4,7,8,9,10,11,12)
InChIKeyVWNOYFDURDGGDT-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.76
Rot. Bonds1

About 8-amino-6-methoxy-3,7-dihydropurin-2-one

8-amino-6-methoxy-3,7-dihydropurin-2-one (PubChem CID 67862786) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 8-amino-6-methoxy-3,7-dihydropurin-2-one.

Molecular Properties

Compound Name8-amino-6-methoxy-3,7-dihydropurin-2-one
PubChem CID67862786
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name8-amino-6-methoxy-3,7-dihydropurin-2-one
SMILESCOc1nc(=O)[nH]c2nc(N)[nH]c12
InChIInChI=1S/C6H7N5O2/c1-13-4-2-3(9-5(7)8-2)10-6(12)11-4/h1H3,(H4,7,8,9,10,11,12)
InChIKeyVWNOYFDURDGGDT-UHFFFAOYSA-N
XLogP-0.76
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-methoxy-3,7-dihydropurin-2-one?
The IUPAC name of 8-amino-6-methoxy-3,7-dihydropurin-2-one (CID 67862786) is 8-amino-6-methoxy-3,7-dihydropurin-2-one.
What is the SMILES notation for 8-amino-6-methoxy-3,7-dihydropurin-2-one?
The canonical SMILES for 8-amino-6-methoxy-3,7-dihydropurin-2-one is COc1nc(=O)[nH]c2nc(N)[nH]c12.
What is the InChIKey of 8-amino-6-methoxy-3,7-dihydropurin-2-one?
The InChIKey is VWNOYFDURDGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-13-4-2-3(9-5(7)8-2)10-6(12)11-4/h1H3,(H4,7,8,9,10,11,12).
What are the key properties of 8-amino-6-methoxy-3,7-dihydropurin-2-one?
8-amino-6-methoxy-3,7-dihydropurin-2-one has a molecular weight of 181.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-methoxy-3,7-dihydropurin-2-one is sourced from PubChem (CID 67862786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).