N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide

C11H11N3O4 — CID 868258

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O4/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16)
InChIKeyDFVWIPYTKNJWND-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.07
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide (PubChem CID 868258) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide
PubChem CID868258
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccco2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H11N3O4/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16)
InChIKeyDFVWIPYTKNJWND-UHFFFAOYSA-N
XLogP-0.07
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide (CID 868258) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide is Cn1c(NC(=O)c2ccco2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide?
The InChIKey is DFVWIPYTKNJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 868258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).