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

C11H10N4O4 — CID 802584

IUPACN-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H10N4O4/c1-6-5-7(2)13-11(12-6)14-10(16)8-3-4-9(19-8)15(17)18/h3-5H,1-2H3,(H,12,13,14,16)
InChIKeyUHEWHZMFGSHLFD-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.85
Rot. Bonds3

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

N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 802584) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID802584
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])o2)n1
InChIInChI=1S/C11H10N4O4/c1-6-5-7(2)13-11(12-6)14-10(16)8-3-4-9(19-8)15(17)18/h3-5H,1-2H3,(H,12,13,14,16)
InChIKeyUHEWHZMFGSHLFD-UHFFFAOYSA-N
XLogP1.85
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-2-pyrimidinyl)-2-furamide
CID 974122
N-(4,6-dimethylpyrimidin-2-yl)-5-methylfuran-2-carboxamide
CID 2970264
5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide
CID 771978
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
CID 823976
4,6-dimethyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrimidin-2-amine
CID 6864876
N,N'-[6-(5-Nitro-2-furyl)-S-triazine-2,4-diyl]bisacetamide
CID 148534
4,6-Dimethyl-2-(5-nitro-2-furyl)pyrimidine
CID 164530
N-(6-methoxypyrimidin-4-yl)-5-nitro-furan-2-carboxamide
CID 3011954
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 924676
N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 966583
N-(6-ethyl-2-methylpyrimidin-4-yl)furan-2-carboxamide
CID 71999099
(5-Nitrofuran-2-yl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 176190290

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide (CID 802584) is N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])o2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is UHEWHZMFGSHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-6-5-7(2)13-11(12-6)14-10(16)8-3-4-9(19-8)15(17)18/h3-5H,1-2H3,(H,12,13,14,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 802584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).