9-methyl-7H-purin-8-one

C6H6N4O — CID 23422303

IUPAC9-methyl-7H-purin-8-one
SMILESCn1c(=O)[nH]c2cncnc21
InChIInChI=1S/C6H6N4O/c1-10-5-4(9-6(10)11)2-7-3-8-5/h2-3H,1H3,(H,9,11)
InChIKeyPIVJPLYRMYPIAF-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.34
Rot. Bonds

About 9-methyl-7H-purin-8-one

9-methyl-7H-purin-8-one (PubChem CID 23422303) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 9-methyl-7H-purin-8-one.

Molecular Properties

Compound Name9-methyl-7H-purin-8-one
PubChem CID23422303
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name9-methyl-7H-purin-8-one
SMILESCn1c(=O)[nH]c2cncnc21
InChIInChI=1S/C6H6N4O/c1-10-5-4(9-6(10)11)2-7-3-8-5/h2-3H,1H3,(H,9,11)
InChIKeyPIVJPLYRMYPIAF-UHFFFAOYSA-N
XLogP-0.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Hydroxyadenine
CID 5355054
7H-Purin-8-ol
CID 229771
7H-Purine-8-thiol
CID 4265275
8-Oxo-7,8-dihydrodeoxyguanine
CID 5356758
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
2-Chloro-7,9-dihydro-8H-purin-8-one
CID 5356633
pteridin-7(8H)-one
CID 590549
N4-methylpyrimidine-4,5-diamine
CID 12523164
6-amino-9-butyl-7H-purin-8-one
CID 381115
6-Hydroxypteridine
CID 590544
Pteridine, 7-hydroxy-2-methyl-
CID 23422175
4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 45080467

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7H-purin-8-one?
The IUPAC name of 9-methyl-7H-purin-8-one (CID 23422303) is 9-methyl-7H-purin-8-one.
What is the SMILES notation for 9-methyl-7H-purin-8-one?
The canonical SMILES for 9-methyl-7H-purin-8-one is Cn1c(=O)[nH]c2cncnc21.
What is the InChIKey of 9-methyl-7H-purin-8-one?
The InChIKey is PIVJPLYRMYPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-10-5-4(9-6(10)11)2-7-3-8-5/h2-3H,1H3,(H,9,11).
What are the key properties of 9-methyl-7H-purin-8-one?
9-methyl-7H-purin-8-one has a molecular weight of 150.14 g/mol, XLogP of -0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7H-purin-8-one is sourced from PubChem (CID 23422303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).