9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

C18H11F2N5O3 — CID 7599484

IUPAC9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N5O3/c19-10-5-2-6-11(20)14(10)25-17-13(23-18(25)28)12(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyRIWTVOMGWCAJRC-UHFFFAOYSA-N
MW383.31 g/mol
LogP1.86
Rot. Bonds3

About 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7599484) has the molecular formula C18H11F2N5O3 and a molecular weight of 383.31 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7599484
Molecular FormulaC18H11F2N5O3
Molecular Weight383.31 g/mol
Exact Mass383.08
IUPAC Name9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C18H11F2N5O3/c19-10-5-2-6-11(20)14(10)25-17-13(23-18(25)28)12(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28)
InChIKeyRIWTVOMGWCAJRC-UHFFFAOYSA-N
XLogP1.86
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 7599484) is 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RIWTVOMGWCAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O3/c19-10-5-2-6-11(20)14(10)25-17-13(23-18(25)28)12(15(21)27)22-16(24-17)8-3-1-4-9(26)7-8/h1-7,26H,(H2,21,27)(H,23,28).
What are the key properties of 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 383.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7599484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).