4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid

C8H10N2O4 — CID 124926290

IUPAC4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
SMILESCOCCOc1ccnc(C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-13-4-5-14-6-2-3-9-7(10-6)8(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyHOIIWCJQDZUWTN-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.20
Rot. Bonds5

About 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid

4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid (PubChem CID 124926290) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
PubChem CID124926290
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
SMILESCOCCOc1ccnc(C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-13-4-5-14-6-2-3-9-7(10-6)8(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyHOIIWCJQDZUWTN-UHFFFAOYSA-N
XLogP0.20
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
4-(3-methoxyphenoxy)pyrimidine-2-carboxylic acid
CID 140976686
2-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 122585497
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
methyl 4-(2-amino-2-methylpropoxy)pyrimidine-2-carboxylate
CID 66285141
2-(4-propoxypyrimidin-2-yl)acetic acid
CID 104571285
6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
CID 103401537
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 145045484

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid (CID 124926290) is 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid is COCCOc1ccnc(C(=O)O)n1.
What is the InChIKey of 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid?
The InChIKey is HOIIWCJQDZUWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-4-5-14-6-2-3-9-7(10-6)8(11)12/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid?
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 124926290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).