2-amino-1,2-dimethylpurin-6-one

C7H9N5O — CID 158446721

IUPAC2-amino-1,2-dimethylpurin-6-one
SMILESCN1C(=O)C2=NC=NC2=NC1(C)N
InChIInChI=1S/C7H9N5O/c1-7(8)11-5-4(9-3-10-5)6(13)12(7)2/h3H,8H2,1-2H3
InChIKeyHDMCSSJXRCIFAH-UHFFFAOYSA-N
MW179.18 g/mol
LogP-1.03
Rot. Bonds

About 2-amino-1,2-dimethylpurin-6-one

2-amino-1,2-dimethylpurin-6-one (PubChem CID 158446721) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-1,2-dimethylpurin-6-one.

Molecular Properties

Compound Name2-amino-1,2-dimethylpurin-6-one
PubChem CID158446721
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-1,2-dimethylpurin-6-one
SMILESCN1C(=O)C2=NC=NC2=NC1(C)N
InChIInChI=1S/C7H9N5O/c1-7(8)11-5-4(9-3-10-5)6(13)12(7)2/h3H,8H2,1-2H3
InChIKeyHDMCSSJXRCIFAH-UHFFFAOYSA-N
XLogP-1.03
TPSA83.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-ethyl-1H-purin-6-one
CID 19601393
2-amino-2-methyl-1H-purin-6-one
CID 20066516
2-Propylguanine
CID 21087610
2,n2-Dimethylguanine
CID 22734526
Trimethylhypoxanthin
CID 129646145
8-Oxo-9-ethylguanine
CID 129723627
2-Methyl(dimethyl)guanine
CID 129793843
1-Methylpurine-2,6-dione
CID 9942236
2-(2-amino-6-oxo-1H-purin-2-yl)acetamide
CID 19903244
1-Propylpurine-2,6-dione
CID 70421029
1-Ethylpurine-2,6-dione
CID 73200787
N-(6-aminopurin-6-yl)acetamide
CID 91031926

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,2-dimethylpurin-6-one?
The IUPAC name of 2-amino-1,2-dimethylpurin-6-one (CID 158446721) is 2-amino-1,2-dimethylpurin-6-one.
What is the SMILES notation for 2-amino-1,2-dimethylpurin-6-one?
The canonical SMILES for 2-amino-1,2-dimethylpurin-6-one is CN1C(=O)C2=NC=NC2=NC1(C)N.
What is the InChIKey of 2-amino-1,2-dimethylpurin-6-one?
The InChIKey is HDMCSSJXRCIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-7(8)11-5-4(9-3-10-5)6(13)12(7)2/h3H,8H2,1-2H3.
What are the key properties of 2-amino-1,2-dimethylpurin-6-one?
2-amino-1,2-dimethylpurin-6-one has a molecular weight of 179.18 g/mol, XLogP of -1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,2-dimethylpurin-6-one is sourced from PubChem (CID 158446721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).