2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid

C14H15N3O4 — CID 134412918

IUPAC2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOc1cc(-c2ncc(C(=O)O)c(C)n2)cnc1OC
InChIInChI=1S/C14H15N3O4/c1-4-21-11-5-9(6-16-13(11)20-3)12-15-7-10(14(18)19)8(2)17-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyTXVDBMZTWWFJLC-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.95
Rot. Bonds5

About 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid

2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 134412918) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID134412918
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOc1cc(-c2ncc(C(=O)O)c(C)n2)cnc1OC
InChIInChI=1S/C14H15N3O4/c1-4-21-11-5-9(6-16-13(11)20-3)12-15-7-10(14(18)19)8(2)17-12/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyTXVDBMZTWWFJLC-UHFFFAOYSA-N
XLogP1.95
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid (CID 134412918) is 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid is CCOc1cc(-c2ncc(C(=O)O)c(C)n2)cnc1OC.
What is the InChIKey of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is TXVDBMZTWWFJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-4-21-11-5-9(6-16-13(11)20-3)12-15-7-10(14(18)19)8(2)17-12/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid?
2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-6-methoxy-3-pyridinyl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 134412918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).