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

C12H11N5O3 — CID 95833470

IUPAC9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
SMILESCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21
InChIInChI=1S/C12H11N5O3/c1-2-17-11-8(15-12(17)19)7(9(13)18)14-10(16-11)6-4-3-5-20-6/h3-5H,2H2,1H3,(H2,13,18)(H,15,19)
InChIKeyOPNYHADBLIGHQP-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.50
Rot. Bonds3

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

9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 95833470) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
PubChem CID95833470
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide
SMILESCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21
InChIInChI=1S/C12H11N5O3/c1-2-17-11-8(15-12(17)19)7(9(13)18)14-10(16-11)6-4-3-5-20-6/h3-5H,2H2,1H3,(H2,13,18)(H,15,19)
InChIKeyOPNYHADBLIGHQP-UHFFFAOYSA-N
XLogP0.50
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide (CID 95833470) is 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide is CCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21.
What is the InChIKey of 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is OPNYHADBLIGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-2-17-11-8(15-12(17)19)7(9(13)18)14-10(16-11)6-4-3-5-20-6/h3-5H,2H2,1H3,(H2,13,18)(H,15,19).
What are the key properties of 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide?
9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-(furan-2-yl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 95833470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).