2-amino-6-methoxy-7-methyl-9H-purin-8-one

C7H9N5O2 — CID 10584006

IUPAC2-amino-6-methoxy-7-methyl-9H-purin-8-one
SMILESCOc1nc(N)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C7H9N5O2/c1-12-3-4(10-7(12)13)9-6(8)11-5(3)14-2/h1-2H3,(H3,8,9,10,11,13)
InChIKeyDAHAOEBKKGDLMP-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.75
Rot. Bonds1

About 2-amino-6-methoxy-7-methyl-9H-purin-8-one

2-amino-6-methoxy-7-methyl-9H-purin-8-one (PubChem CID 10584006) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-6-methoxy-7-methyl-9H-purin-8-one.

Molecular Properties

Compound Name2-amino-6-methoxy-7-methyl-9H-purin-8-one
PubChem CID10584006
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-6-methoxy-7-methyl-9H-purin-8-one
SMILESCOc1nc(N)nc2[nH]c(=O)n(C)c12
InChIInChI=1S/C7H9N5O2/c1-12-3-4(10-7(12)13)9-6(8)11-5(3)14-2/h1-2H3,(H3,8,9,10,11,13)
InChIKeyDAHAOEBKKGDLMP-UHFFFAOYSA-N
XLogP-0.75
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-7-methyl-9H-purin-8-one?
The IUPAC name of 2-amino-6-methoxy-7-methyl-9H-purin-8-one (CID 10584006) is 2-amino-6-methoxy-7-methyl-9H-purin-8-one.
What is the SMILES notation for 2-amino-6-methoxy-7-methyl-9H-purin-8-one?
The canonical SMILES for 2-amino-6-methoxy-7-methyl-9H-purin-8-one is COc1nc(N)nc2[nH]c(=O)n(C)c12.
What is the InChIKey of 2-amino-6-methoxy-7-methyl-9H-purin-8-one?
The InChIKey is DAHAOEBKKGDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-12-3-4(10-7(12)13)9-6(8)11-5(3)14-2/h1-2H3,(H3,8,9,10,11,13).
What are the key properties of 2-amino-6-methoxy-7-methyl-9H-purin-8-one?
2-amino-6-methoxy-7-methyl-9H-purin-8-one has a molecular weight of 195.18 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-7-methyl-9H-purin-8-one is sourced from PubChem (CID 10584006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).