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

C8H10N2O4 — CID 107554746

IUPAC2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
SMILESCOCCOc1nccc(C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-13-4-5-14-8-9-3-2-6(10-8)7(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyUTOCWNMIFSEQSW-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.20
Rot. Bonds5

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

2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554746) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
PubChem CID107554746
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
SMILESCOCCOc1nccc(C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-13-4-5-14-8-9-3-2-6(10-8)7(11)12/h2-3H,4-5H2,1H3,(H,11,12)
InChIKeyUTOCWNMIFSEQSW-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-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
CID 107555073
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
2-but-3-ynoxypyrimidine-4-carboxylic acid
CID 107555077
2-(2-pyrrolidin-1-ylethoxy)pyrimidine-4-carboxylic acid
CID 107554889
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-(2-methoxyethylsulfanyl)pyrimidine-4-carboxylic acid
CID 107555171
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
2-pentan-2-yloxypyrimidine-4-carboxylic acid
CID 107555052
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 116798022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid (CID 107554746) is 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid is COCCOc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is UTOCWNMIFSEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-4-5-14-8-9-3-2-6(10-8)7(11)12/h2-3H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid?
2-(2-methoxyethoxy)pyrimidine-4-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 2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).