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

C14H14N2O4 — CID 141295054

IUPACmethyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(C)cc2)[nH]c(=O)c1O
InChIInChI=1S/C14H14N2O4/c1-8-3-5-9(6-4-8)7-10-15-11(14(19)20-2)12(17)13(18)16-10/h3-6,17H,7H2,1-2H3,(H,15,16,18)
InChIKeyXOVDXXFMSVLFEO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.16
Rot. Bonds3

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

methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 141295054) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID141295054
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cc2ccc(C)cc2)[nH]c(=O)c1O
InChIInChI=1S/C14H14N2O4/c1-8-3-5-9(6-4-8)7-10-15-11(14(19)20-2)12(17)13(18)16-10/h3-6,17H,7H2,1-2H3,(H,15,16,18)
InChIKeyXOVDXXFMSVLFEO-UHFFFAOYSA-N
XLogP1.16
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135465481
5-Hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylic acid
CID 135406878
Methyl 5-hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylate
CID 135483599
Pyrimidinol carboxylic acid, 8
CID 135928510
5-hydroxy-6-oxo-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid
CID 168278970
Methyl 2-benzyl-5,6-dihydroxypyrimidine-4-carboxylate
CID 135466449
2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136086816
Methyl 2-(4-fluorophenyl)-5,6-dihydroxypyrimidine-4-carboxylate
CID 136098690
5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168278513
2-[(3,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168284775
methyl 5-hydroxy-6-oxo-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylate
CID 168293092
methyl 2-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 168293156

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate (CID 141295054) is methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(Cc2ccc(C)cc2)[nH]c(=O)c1O.
What is the InChIKey of methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is XOVDXXFMSVLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-3-5-9(6-4-8)7-10-15-11(14(19)20-2)12(17)13(18)16-10/h3-6,17H,7H2,1-2H3,(H,15,16,18).
What are the key properties of methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 141295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).