4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid

C14H14N2O4 — CID 63206349

IUPAC4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1Cn1cc(C)cnc1=O
InChIInChI=1S/C14H14N2O4/c1-9-6-15-14(19)16(7-9)8-11-5-10(13(17)18)3-4-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyPLTUAULWYXLINF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.31
Rot. Bonds4

About 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid

4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid (PubChem CID 63206349) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid
PubChem CID63206349
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1Cn1cc(C)cnc1=O
InChIInChI=1S/C14H14N2O4/c1-9-6-15-14(19)16(7-9)8-11-5-10(13(17)18)3-4-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyPLTUAULWYXLINF-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]methyl]-5-methylpyrimidin-2-one
CID 63206045
4-methoxy-3-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 62024053
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4-methoxybenzoic acid
CID 63556801
3-[2-(5-methyl-2-oxopyrimidin-1-yl)ethoxy]benzoic acid
CID 63205932
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502
3-methoxy-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 55161660
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
N-(5-amino-2-methoxyphenyl)-2-(5-methyl-2-oxopyrimidin-1-yl)acetamide
CID 63205929
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
4-[(5-formylimidazol-1-yl)methyl]-3-methoxybenzoic acid
CID 155676599

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid (CID 63206349) is 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid is COc1ccc(C(=O)O)cc1Cn1cc(C)cnc1=O.
What is the InChIKey of 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid?
The InChIKey is PLTUAULWYXLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-6-15-14(19)16(7-9)8-11-5-10(13(17)18)3-4-12(11)20-2/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid?
4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methyl-2-oxopyrimidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 63206349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).