7-(4-fluorophenyl)-8-methyl-1H-purin-6-one

C12H9FN4O — CID 137254746

IUPAC7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
SMILESCc1nc2nc[nH]c(=O)c2n1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O/c1-7-16-11-10(12(18)15-6-14-11)17(7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,18)
InChIKeyXRGASROAWJUYLW-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.56
Rot. Bonds1

About 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one

7-(4-fluorophenyl)-8-methyl-1H-purin-6-one (PubChem CID 137254746) has the molecular formula C12H9FN4O and a molecular weight of 244.23 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
PubChem CID137254746
Molecular FormulaC12H9FN4O
Molecular Weight244.23 g/mol
Exact Mass244.08
IUPAC Name7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
SMILESCc1nc2nc[nH]c(=O)c2n1-c1ccc(F)cc1
InChIInChI=1S/C12H9FN4O/c1-7-16-11-10(12(18)15-6-14-11)17(7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,18)
InChIKeyXRGASROAWJUYLW-UHFFFAOYSA-N
XLogP1.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
CID 2331215
3-(4-fluorophenyl)-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135436380
8-amino-7-(2-chlorophenyl)-1H-purin-6-one
CID 137254797
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
7-[(4-fluorophenyl)methyl]-8-[(1-methylpiperidin-4-yl)amino]-1H-purin-6-one
CID 135588854
8-amino-7-(3-nitrophenyl)-1H-purin-6-one
CID 137254738
5-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190736
N-(7-methyl-6-oxo-1H-purin-8-yl)acetamide
CID 142422606
3-(4-fluorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
CID 136711472
2-(4-fluorophenyl)-4H-1,2,4-triazol-3-one
CID 135411143
2,8-dimethyl-7-[3-(trifluoromethyl)phenyl]-1H-purin-6-one
CID 137254721

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one?
The IUPAC name of 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one (CID 137254746) is 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one.
What is the SMILES notation for 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one?
The canonical SMILES for 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one is Cc1nc2nc[nH]c(=O)c2n1-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one?
The InChIKey is XRGASROAWJUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O/c1-7-16-11-10(12(18)15-6-14-11)17(7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,15,18).
What are the key properties of 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one?
7-(4-fluorophenyl)-8-methyl-1H-purin-6-one has a molecular weight of 244.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-methyl-1H-purin-6-one is sourced from PubChem (CID 137254746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).