2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one

C11H11N3O5 — CID 79376118

IUPAC2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N3O5/c1-7-5-9(15)13(11(12-7)18-2)6-8-3-4-10(19-8)14(16)17/h3-5H,6H2,1-2H3
InChIKeyLZOUROGVQLHWTM-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.11
Rot. Bonds4

About 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one (PubChem CID 79376118) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one
PubChem CID79376118
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N3O5/c1-7-5-9(15)13(11(12-7)18-2)6-8-3-4-10(19-8)14(16)17/h3-5H,6H2,1-2H3
InChIKeyLZOUROGVQLHWTM-UHFFFAOYSA-N
XLogP1.11
TPSA100.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one (CID 79376118) is 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one?
The InChIKey is LZOUROGVQLHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c1-7-5-9(15)13(11(12-7)18-2)6-8-3-4-10(19-8)14(16)17/h3-5H,6H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one has a molecular weight of 265.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(5-nitrofuran-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).