2-amino-3,7-dimethylpurin-6-one

C7H9N5O — CID 10261674

IUPAC2-amino-3,7-dimethylpurin-6-one
SMILESCn1cnc2c1c(=O)nc(N)n2C
InChIInChI=1S/C7H9N5O/c1-11-3-9-5-4(11)6(13)10-7(8)12(5)2/h3H,1-2H3,(H2,8,10,13)
InChIKeyKDXAUYFKVGLUHH-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.75
Rot. Bonds

About 2-amino-3,7-dimethylpurin-6-one

2-amino-3,7-dimethylpurin-6-one (PubChem CID 10261674) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-3,7-dimethylpurin-6-one.

Molecular Properties

Compound Name2-amino-3,7-dimethylpurin-6-one
PubChem CID10261674
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-3,7-dimethylpurin-6-one
SMILESCn1cnc2c1c(=O)nc(N)n2C
InChIInChI=1S/C7H9N5O/c1-11-3-9-5-4(11)6(13)10-7(8)12(5)2/h3H,1-2H3,(H2,8,10,13)
InChIKeyKDXAUYFKVGLUHH-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 2-amino-3,7-dimethylpurin-6-one?
The IUPAC name of 2-amino-3,7-dimethylpurin-6-one (CID 10261674) is 2-amino-3,7-dimethylpurin-6-one.
What is the SMILES notation for 2-amino-3,7-dimethylpurin-6-one?
The canonical SMILES for 2-amino-3,7-dimethylpurin-6-one is Cn1cnc2c1c(=O)nc(N)n2C.
What is the InChIKey of 2-amino-3,7-dimethylpurin-6-one?
The InChIKey is KDXAUYFKVGLUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-11-3-9-5-4(11)6(13)10-7(8)12(5)2/h3H,1-2H3,(H2,8,10,13).
What are the key properties of 2-amino-3,7-dimethylpurin-6-one?
2-amino-3,7-dimethylpurin-6-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 2-amino-3,7-dimethylpurin-6-one is sourced from PubChem (CID 10261674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).