2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid

C11H14N2O3 — CID 116731354

IUPAC2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCCOC(c1nccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C11H14N2O3/c1-2-16-9(7-3-4-7)10-12-6-5-8(13-10)11(14)15/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyPXPKGDYMUKVWIO-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.66
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid

2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid (PubChem CID 116731354) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
PubChem CID116731354
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCCOC(c1nccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C11H14N2O3/c1-2-16-9(7-3-4-7)10-12-6-5-8(13-10)11(14)15/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyPXPKGDYMUKVWIO-UHFFFAOYSA-N
XLogP1.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid (CID 116731354) is 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid is CCOC(c1nccc(C(=O)O)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is PXPKGDYMUKVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-16-9(7-3-4-7)10-12-6-5-8(13-10)11(14)15/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid?
2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116731354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).