9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide

C16H10FN5O3 — CID 7196917

IUPAC9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C16H10FN5O3/c17-8-3-5-9(6-4-8)22-15-12(20-16(22)24)11(13(18)23)19-14(21-15)10-2-1-7-25-10/h1-7H,(H2,18,23)(H,20,24)
InChIKeyRAWCAFCJYBMABI-UHFFFAOYSA-N
MW339.29 g/mol
LogP1.61
Rot. Bonds3

About 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide

9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7196917) has the molecular formula C16H10FN5O3 and a molecular weight of 339.29 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7196917
Molecular FormulaC16H10FN5O3
Molecular Weight339.29 g/mol
Exact Mass339.08
IUPAC Name9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C16H10FN5O3/c17-8-3-5-9(6-4-8)22-15-12(20-16(22)24)11(13(18)23)19-14(21-15)10-2-1-7-25-10/h1-7H,(H2,18,23)(H,20,24)
InChIKeyRAWCAFCJYBMABI-UHFFFAOYSA-N
XLogP1.61
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide (CID 7196917) is 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2ccco2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RAWCAFCJYBMABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O3/c17-8-3-5-9(6-4-8)22-15-12(20-16(22)24)11(13(18)23)19-14(21-15)10-2-1-7-25-10/h1-7H,(H2,18,23)(H,20,24).
What are the key properties of 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 339.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7196917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).