5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C12H13N3O4 — CID 2258004

IUPAC5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/Cc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O4/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-6-8-4-3-5-19-8/h3-5,7,16H,6H2,1-2H3/b13-7+
InChIKeyIKBJEMQRZRBXIR-NTUHNPAUSA-N
MW263.25 g/mol
LogP0.00
Rot. Bonds3

About 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2258004) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2258004
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/Cc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C12H13N3O4/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-6-8-4-3-5-19-8/h3-5,7,16H,6H2,1-2H3/b13-7+
InChIKeyIKBJEMQRZRBXIR-NTUHNPAUSA-N
XLogP0.00
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2258004) is 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/Cc2ccco2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IKBJEMQRZRBXIR-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-14-10(16)9(11(17)15(2)12(14)18)7-13-6-8-4-3-5-19-8/h3-5,7,16H,6H2,1-2H3/b13-7+.
What are the key properties of 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 263.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2258004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).