2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

C14H13FN2O4 — CID 141295067

IUPAC2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(Cc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C14H13FN2O4/c1-17-10(7-8-3-5-9(15)6-4-8)16-11(14(19)20)12(21-2)13(17)18/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyYOISVWTUSOYBMX-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.22
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid

2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (PubChem CID 141295067) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
PubChem CID141295067
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1c(C(=O)O)nc(Cc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C14H13FN2O4/c1-17-10(7-8-3-5-9(15)6-4-8)16-11(14(19)20)12(21-2)13(17)18/h3-6H,7H2,1-2H3,(H,19,20)
InChIKeyYOISVWTUSOYBMX-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135465481
Pyrimidinol carboxylic acid, 8
CID 135928510
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 2-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 168293156
2-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168295798
methyl 2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 141295047
methyl 5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 141295054
2-[(4-fluorophenyl)methyl]-5-hydroxy-N,1-dimethyl-6-oxopyrimidine-4-carboxamide
CID 54738494

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid (CID 141295067) is 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is COc1c(C(=O)O)nc(Cc2ccc(F)cc2)n(C)c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is YOISVWTUSOYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-17-10(7-8-3-5-9(15)6-4-8)16-11(14(19)20)12(21-2)13(17)18/h3-6H,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid?
2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 141295067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).