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

C10H15N3O3 — CID 91915932

IUPAC4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
SMILESCCc1nc(NCCOC)ncc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-8-7(9(14)15)6-12-10(13-8)11-4-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyFINOSWMKXYBQBS-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.80
Rot. Bonds6

About 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid

4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid (PubChem CID 91915932) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
PubChem CID91915932
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid
SMILESCCc1nc(NCCOC)ncc1C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-8-7(9(14)15)6-12-10(13-8)11-4-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyFINOSWMKXYBQBS-UHFFFAOYSA-N
XLogP0.80
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid (CID 91915932) is 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid is CCc1nc(NCCOC)ncc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is FINOSWMKXYBQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-8-7(9(14)15)6-12-10(13-8)11-4-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid?
4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 91915932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).