methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate

C13H12N2O4 — CID 79436249

IUPACmethyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12N2O4/c1-7-3-5-8(6-4-7)9-11(16)14-10(13(18)19-2)15-12(9)17/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyODPXUAHQNBNUKN-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.24
Rot. Bonds2

About methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate

methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 79436249) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID79436249
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12N2O4/c1-7-3-5-8(6-4-7)9-11(16)14-10(13(18)19-2)15-12(9)17/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyODPXUAHQNBNUKN-UHFFFAOYSA-N
XLogP1.24
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79436574
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79437123
4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
CID 79436382
2-[(cyclopropylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79441693
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 114553938
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79429800
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate (CID 79436249) is methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate is COC(=O)c1nc(O)c(-c2ccc(C)cc2)c(=O)[nH]1.
What is the InChIKey of methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is ODPXUAHQNBNUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-3-5-8(6-4-7)9-11(16)14-10(13(18)19-2)15-12(9)17/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate?
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 79436249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).