2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid

C10H14N2O3 — CID 106815162

IUPAC2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOCCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-3-15-5-4-9-11-6-8(10(13)14)7(2)12-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQVBXPZKNPVNFQX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds5

About 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid

2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 106815162) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID106815162
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOCCc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-3-15-5-4-9-11-6-8(10(13)14)7(2)12-9/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyQVBXPZKNPVNFQX-UHFFFAOYSA-N
XLogP1.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid (CID 106815162) is 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid is CCOCCc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is QVBXPZKNPVNFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-15-5-4-9-11-6-8(10(13)14)7(2)12-9/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid?
2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 106815162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).