methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

C6H6N2O4 — CID 130054720

IUPACmethyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(O)c(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c1-12-6(11)4-7-2-3(9)5(10)8-4/h2,9H,1H3,(H,7,8,10)
InChIKeyNGHSCWINAZIURC-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.74
Rot. Bonds1

About methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 130054720) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID130054720
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Namemethyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(O)c(=O)[nH]1
InChIInChI=1S/C6H6N2O4/c1-12-6(11)4-7-2-3(9)5(10)8-4/h2,9H,1H3,(H,7,8,10)
InChIKeyNGHSCWINAZIURC-UHFFFAOYSA-N
XLogP-0.74
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate 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 methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (CID 130054720) is methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is COC(=O)c1ncc(O)c(=O)[nH]1.
What is the InChIKey of methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is NGHSCWINAZIURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c1-12-6(11)4-7-2-3(9)5(10)8-4/h2,9H,1H3,(H,7,8,10).
What are the key properties of methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 170.12 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 130054720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).