6-(dimethylamino)-9-methyl-7H-purin-8-one

C8H11N5O — CID 11694067

IUPAC6-(dimethylamino)-9-methyl-7H-purin-8-one
SMILESCN(C)c1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C8H11N5O/c1-12(2)6-5-7(10-4-9-6)13(3)8(14)11-5/h4H,1-3H3,(H,11,14)
InChIKeyQWFDMUUITACIQD-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.28
Rot. Bonds1

About 6-(dimethylamino)-9-methyl-7H-purin-8-one

6-(dimethylamino)-9-methyl-7H-purin-8-one (PubChem CID 11694067) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-(dimethylamino)-9-methyl-7H-purin-8-one.

Molecular Properties

Compound Name6-(dimethylamino)-9-methyl-7H-purin-8-one
PubChem CID11694067
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-(dimethylamino)-9-methyl-7H-purin-8-one
SMILESCN(C)c1ncnc2c1[nH]c(=O)n2C
InChIInChI=1S/C8H11N5O/c1-12(2)6-5-7(10-4-9-6)13(3)8(14)11-5/h4H,1-3H3,(H,11,14)
InChIKeyQWFDMUUITACIQD-UHFFFAOYSA-N
XLogP-0.28
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-9-methyl-7H-purin-8-one?
The IUPAC name of 6-(dimethylamino)-9-methyl-7H-purin-8-one (CID 11694067) is 6-(dimethylamino)-9-methyl-7H-purin-8-one.
What is the SMILES notation for 6-(dimethylamino)-9-methyl-7H-purin-8-one?
The canonical SMILES for 6-(dimethylamino)-9-methyl-7H-purin-8-one is CN(C)c1ncnc2c1[nH]c(=O)n2C.
What is the InChIKey of 6-(dimethylamino)-9-methyl-7H-purin-8-one?
The InChIKey is QWFDMUUITACIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-12(2)6-5-7(10-4-9-6)13(3)8(14)11-5/h4H,1-3H3,(H,11,14).
What are the key properties of 6-(dimethylamino)-9-methyl-7H-purin-8-one?
6-(dimethylamino)-9-methyl-7H-purin-8-one has a molecular weight of 193.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-9-methyl-7H-purin-8-one is sourced from PubChem (CID 11694067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).