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

C8H11N3O3 — CID 42281391

IUPAC2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
SMILESCOCCNc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O3/c1-14-3-2-9-8-10-4-6(5-11-8)7(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyFFWNFHPZAMTTAR-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.23
Rot. Bonds5

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

2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid (PubChem CID 42281391) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
PubChem CID42281391
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
SMILESCOCCNc1ncc(C(=O)O)cn1
InChIInChI=1S/C8H11N3O3/c1-14-3-2-9-8-10-4-6(5-11-8)7(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyFFWNFHPZAMTTAR-UHFFFAOYSA-N
XLogP0.23
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid (CID 42281391) is 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid is COCCNc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is FFWNFHPZAMTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-3-2-9-8-10-4-6(5-11-8)7(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 42281391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).