methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate

C12H10N2O4 — CID 135483599

IUPACmethyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C12H10N2O4/c1-18-12(17)8-9(15)11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,14,16)
InChIKeyBRHZBRCRKPOREU-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.93
Rot. Bonds2

About methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate

methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate (PubChem CID 135483599) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate
PubChem CID135483599
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Namemethyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C12H10N2O4/c1-18-12(17)8-9(15)11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,14,16)
InChIKeyBRHZBRCRKPOREU-UHFFFAOYSA-N
XLogP0.93
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-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-2-phenyl-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate (CID 135483599) is methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate?
The InChIKey is BRHZBRCRKPOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-18-12(17)8-9(15)11(16)14-10(13-8)7-5-3-2-4-6-7/h2-6,15H,1H3,(H,13,14,16).
What are the key properties of methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate?
methyl 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylate has a molecular weight of 246.22 g/mol, XLogP of 0.93, 2 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-2-phenyl-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135483599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).