5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione

C8H11N3O4 — CID 45257035

IUPAC5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O4/c1-10-6(12)5(4-9-14)7(15-3)11(2)8(10)13/h4,14H,1-3H3/b9-4+
InChIKeyRGNUPZWFKJTGCL-RUDMXATFSA-N
MW213.19 g/mol
LogP-1.10
Rot. Bonds2

About 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione

5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 45257035) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID45257035
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H11N3O4/c1-10-6(12)5(4-9-14)7(15-3)11(2)8(10)13/h4,14H,1-3H3/b9-4+
InChIKeyRGNUPZWFKJTGCL-RUDMXATFSA-N
XLogP-1.10
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione (CID 45257035) is 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione is COc1c(/C=N/O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RGNUPZWFKJTGCL-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-10-6(12)5(4-9-14)7(15-3)11(2)8(10)13/h4,14H,1-3H3/b9-4+.
What are the key properties of 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 213.19 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 45257035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).