6-amino-7,9-dimethylpurin-8-one

C7H9N5O — CID 10654929

IUPAC6-amino-7,9-dimethylpurin-8-one
SMILESCn1c(=O)n(C)c2c(N)ncnc21
InChIInChI=1S/C7H9N5O/c1-11-4-5(8)9-3-10-6(4)12(2)7(11)13/h3H,1-2H3,(H2,8,9,10)
InChIKeyAHDIOPOUWXQQFO-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.75
Rot. Bonds

About 6-amino-7,9-dimethylpurin-8-one

6-amino-7,9-dimethylpurin-8-one (PubChem CID 10654929) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-amino-7,9-dimethylpurin-8-one.

Molecular Properties

Compound Name6-amino-7,9-dimethylpurin-8-one
PubChem CID10654929
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-amino-7,9-dimethylpurin-8-one
SMILESCn1c(=O)n(C)c2c(N)ncnc21
InChIInChI=1S/C7H9N5O/c1-11-4-5(8)9-3-10-6(4)12(2)7(11)13/h3H,1-2H3,(H2,8,9,10)
InChIKeyAHDIOPOUWXQQFO-UHFFFAOYSA-N
XLogP-0.75
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7,9-dimethylpurin-8-one?
The IUPAC name of 6-amino-7,9-dimethylpurin-8-one (CID 10654929) is 6-amino-7,9-dimethylpurin-8-one.
What is the SMILES notation for 6-amino-7,9-dimethylpurin-8-one?
The canonical SMILES for 6-amino-7,9-dimethylpurin-8-one is Cn1c(=O)n(C)c2c(N)ncnc21.
What is the InChIKey of 6-amino-7,9-dimethylpurin-8-one?
The InChIKey is AHDIOPOUWXQQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-11-4-5(8)9-3-10-6(4)12(2)7(11)13/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 6-amino-7,9-dimethylpurin-8-one?
6-amino-7,9-dimethylpurin-8-one has a molecular weight of 179.18 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,9-dimethylpurin-8-one is sourced from PubChem (CID 10654929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).