2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid

C14H14N2O4 — CID 18366637

IUPAC2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
SMILESCOCc1cnc(-c2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C14H14N2O4/c1-20-9-11-7-15-13(10-5-3-2-4-6-10)16(14(11)19)8-12(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyLRKTZAGZMPZSIA-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.14
Rot. Bonds5

About 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid

2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid (PubChem CID 18366637) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
PubChem CID18366637
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
SMILESCOCc1cnc(-c2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C14H14N2O4/c1-20-9-11-7-15-13(10-5-3-2-4-6-10)16(14(11)19)8-12(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyLRKTZAGZMPZSIA-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-hydroxy-2-phenylpyrimidine-5-carboxylate
CID 657593
ethyl 2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535796
1-Methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
CID 12535878
Ethyl 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 12535879
[6-Oxo-2-(4-fluorophenyl)1,6-dihydro-1-pyrimidinyl]acetic acid
CID 10538481
1-(2,2-Diethoxyethyl)-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxylic acid
CID 18625660
Ethyl 1-(2,2-diethoxyethyl)-2-(4-fluorophenyl)pyrimidin-6(1h)-one-5-carboxylate
CID 18625664
ethyl 2-(3-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62020562
2-(3,5-Difluorophenyl)-1,6-dihydro-1-(2-methoxyethyl)-6-oxo-5-pyrimidinecarboxylic acid
CID 67955047
Ethyl 2-(3,5-difluorophenyl)-1,6-dihydro-1-(2-methoxyethyl)-6-oxo-5-pyrimidinecarboxylate
CID 67955325
Butan-2-yl 2-(3,5-difluorophenyl)-1-(2-methoxyethyl)-6-oxopyrimidine-5-carboxylate
CID 140220147
CID 170789185
CID 170789185

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid (CID 18366637) is 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid is COCc1cnc(-c2ccccc2)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The InChIKey is LRKTZAGZMPZSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-9-11-7-15-13(10-5-3-2-4-6-10)16(14(11)19)8-12(17)18/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid is sourced from PubChem (CID 18366637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).