2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one

C11H8FN5O2 — CID 136751601

IUPAC2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one
SMILESNc1nc2nc(-c3ccc(O)cc3F)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H8FN5O2/c12-6-3-4(18)1-2-5(6)8-14-7-9(15-8)16-11(13)17-10(7)19/h1-3,18H,(H4,13,14,15,16,17,19)
InChIKeyIPORVSXYJLJEBG-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.74
Rot. Bonds1

About 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one

2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one (PubChem CID 136751601) has the molecular formula C11H8FN5O2 and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one
PubChem CID136751601
Molecular FormulaC11H8FN5O2
Molecular Weight261.22 g/mol
Exact Mass261.07
IUPAC Name2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one
SMILESNc1nc2nc(-c3ccc(O)cc3F)[nH]c2c(=O)[nH]1
InChIInChI=1S/C11H8FN5O2/c12-6-3-4(18)1-2-5(6)8-14-7-9(15-8)16-11(13)17-10(7)19/h1-3,18H,(H4,13,14,15,16,17,19)
InChIKeyIPORVSXYJLJEBG-UHFFFAOYSA-N
XLogP0.74
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one (CID 136751601) is 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one is Nc1nc2nc(-c3ccc(O)cc3F)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one?
The InChIKey is IPORVSXYJLJEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O2/c12-6-3-4(18)1-2-5(6)8-14-7-9(15-8)16-11(13)17-10(7)19/h1-3,18H,(H4,13,14,15,16,17,19).
What are the key properties of 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one?
2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one has a molecular weight of 261.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-fluoro-4-hydroxyphenyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 136751601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).