2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid

C8H10N2O4 — CID 66570813

IUPAC2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H10N2O4/c1-13-2-3-14-8-9-4-6(5-10-8)7(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeySSDDJOKUMZASGW-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.20
Rot. Bonds5

About 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid

2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid (PubChem CID 66570813) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
PubChem CID66570813
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
SMILESCOCCOc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H10N2O4/c1-13-2-3-14-8-9-4-6(5-10-8)7(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeySSDDJOKUMZASGW-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-dodecoxypyrimidine-5-carboxylic acid
CID 19979019
5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
CID 170179546
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 167880425
2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
6-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-3-carboxylic acid
CID 55137664
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503771
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid (CID 66570813) is 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid is COCCOc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid?
The InChIKey is SSDDJOKUMZASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-13-2-3-14-8-9-4-6(5-10-8)7(11)12/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid?
2-(2-methoxyethoxy)pyrimidine-5-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-5-carboxylic acid is sourced from PubChem (CID 66570813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).