2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C7H8N2O4 — CID 62020376

IUPAC2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-13-3-5-8-2-4(7(11)12)6(10)9-5/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyWQJKFTKBBKRUHO-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.39
Rot. Bonds3

About 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 62020376) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID62020376
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H8N2O4/c1-13-3-5-8-2-4(7(11)12)6(10)9-5/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyWQJKFTKBBKRUHO-UHFFFAOYSA-N
XLogP-0.39
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 62020376) is 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COCc1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is WQJKFTKBBKRUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-13-3-5-8-2-4(7(11)12)6(10)9-5/h2H,3H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62020376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).