4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one

C7H9N3O3 — CID 141348962

IUPAC4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one
SMILESCON=CCc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-13-10-3-2-5-6(11)8-4-9-7(5)12/h3-4H,2H2,1H3,(H2,8,9,11,12)
InChIKeyODWPXYPCWWZJLX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.35
Rot. Bonds3

About 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one

4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one (PubChem CID 141348962) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one
PubChem CID141348962
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one
SMILESCON=CCc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-13-10-3-2-5-6(11)8-4-9-7(5)12/h3-4H,2H2,1H3,(H2,8,9,11,12)
InChIKeyODWPXYPCWWZJLX-UHFFFAOYSA-N
XLogP-0.35
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
4-hydroxy-5-(4-sulfanylbut-1-enyl)-1H-pyrimidin-6-one
CID 170477983
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135422502
5-[(4-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 132587945
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796
5-(1,2-dihydroxy-4-sulfanylbutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 171873778
5-[2-(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-2-oxoethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 154783994
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 11096993
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 167945612
5-(2-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
CID 71303466
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154795174

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one (CID 141348962) is 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one is CON=CCc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one?
The InChIKey is ODWPXYPCWWZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-10-3-2-5-6(11)8-4-9-7(5)12/h3-4H,2H2,1H3,(H2,8,9,11,12).
What are the key properties of 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one has a molecular weight of 183.17 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyiminoethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 141348962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).