1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one

C12H10FN5O — CID 46835268

IUPAC1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
SMILESCn1cnc2nc(-c3ccc(F)cc3)n(N)c(=O)c21
InChIInChI=1S/C12H10FN5O/c1-17-6-15-10-9(17)12(19)18(14)11(16-10)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKeyMFKYBXZNZQUTKO-UHFFFAOYSA-N
MW259.24 g/mol
LogP0.65
Rot. Bonds1

About 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one

1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one (PubChem CID 46835268) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one.

Molecular Properties

Compound Name1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
PubChem CID46835268
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one
SMILESCn1cnc2nc(-c3ccc(F)cc3)n(N)c(=O)c21
InChIInChI=1S/C12H10FN5O/c1-17-6-15-10-9(17)12(19)18(14)11(16-10)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChIKeyMFKYBXZNZQUTKO-UHFFFAOYSA-N
XLogP0.65
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one?
The IUPAC name of 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one (CID 46835268) is 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one.
What is the SMILES notation for 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one?
The canonical SMILES for 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one is Cn1cnc2nc(-c3ccc(F)cc3)n(N)c(=O)c21.
What is the InChIKey of 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one?
The InChIKey is MFKYBXZNZQUTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-17-6-15-10-9(17)12(19)18(14)11(16-10)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3.
What are the key properties of 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one?
1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one has a molecular weight of 259.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-fluorophenyl)-7-methylpurin-6-one is sourced from PubChem (CID 46835268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).