2-methoxy-6-oxo-1H-pyrimidin-4-olate

C5H5N2O3- — CID 86306347

IUPAC2-methoxy-6-oxo-1H-pyrimidin-4-olate
SMILESCOc1nc([O-])cc(=O)[nH]1
InChIInChI=1S/C5H6N2O3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)/p-1
InChIKeyINZGPQPOYOLJOW-UHFFFAOYSA-M
MW141.11 g/mol
LogP-1.15
Rot. Bonds1

About 2-methoxy-6-oxo-1H-pyrimidin-4-olate

2-methoxy-6-oxo-1H-pyrimidin-4-olate (PubChem CID 86306347) has the molecular formula C5H5N2O3- and a molecular weight of 141.11 g/mol. Its IUPAC name is 2-methoxy-6-oxo-1H-pyrimidin-4-olate.

Molecular Properties

Compound Name2-methoxy-6-oxo-1H-pyrimidin-4-olate
PubChem CID86306347
Molecular FormulaC5H5N2O3-
Molecular Weight141.11 g/mol
Exact Mass141.03
IUPAC Name2-methoxy-6-oxo-1H-pyrimidin-4-olate
SMILESCOc1nc([O-])cc(=O)[nH]1
InChIInChI=1S/C5H6N2O3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)/p-1
InChIKeyINZGPQPOYOLJOW-UHFFFAOYSA-M
XLogP-1.15
TPSA78.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-6-oxo-1H-pyrimidin-4-olate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxo-1H-pyrimidin-4-olate?
The IUPAC name of 2-methoxy-6-oxo-1H-pyrimidin-4-olate (CID 86306347) is 2-methoxy-6-oxo-1H-pyrimidin-4-olate.
What is the SMILES notation for 2-methoxy-6-oxo-1H-pyrimidin-4-olate?
The canonical SMILES for 2-methoxy-6-oxo-1H-pyrimidin-4-olate is COc1nc([O-])cc(=O)[nH]1.
What is the InChIKey of 2-methoxy-6-oxo-1H-pyrimidin-4-olate?
The InChIKey is INZGPQPOYOLJOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)/p-1.
What are the key properties of 2-methoxy-6-oxo-1H-pyrimidin-4-olate?
2-methoxy-6-oxo-1H-pyrimidin-4-olate has a molecular weight of 141.11 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxo-1H-pyrimidin-4-olate is sourced from PubChem (CID 86306347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).