N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide

C13H14N4O5 — CID 122355959

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1
InChIInChI=1S/C13H14N4O5/c1-4-21-13-14-7(2)11(8(3)15-13)16-12(18)9-5-6-10(22-9)17(19)20/h5-6H,4H2,1-3H3,(H,16,18)
InChIKeyDAYYXXLSQIXFFE-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.25
Rot. Bonds5

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide (PubChem CID 122355959) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
PubChem CID122355959
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1
InChIInChI=1S/C13H14N4O5/c1-4-21-13-14-7(2)11(8(3)15-13)16-12(18)9-5-6-10(22-9)17(19)20/h5-6H,4H2,1-3H3,(H,16,18)
InChIKeyDAYYXXLSQIXFFE-UHFFFAOYSA-N
XLogP2.25
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-nitrofuran-2-carboxamide
CID 122303336
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,5-dinitrobenzamide
CID 122356187
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
N-(6-methoxy-3-pyridinyl)-5-nitrofuran-2-carboxamide
CID 51143054
diethyl 3-methyl-5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 2294796
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 43974208

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide (CID 122355959) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide is CCOc1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is DAYYXXLSQIXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5/c1-4-21-13-14-7(2)11(8(3)15-13)16-12(18)9-5-6-10(22-9)17(19)20/h5-6H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 122355959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).