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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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).