4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid

C14H14N2O4 — CID 102973475

IUPAC4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(OCc2ncncc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-2-19-10-3-5-11(6-4-10)20-8-13-12(14(17)18)7-15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyQLWCMCAMDIWDNT-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.15
Rot. Bonds6

About 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid

4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102973475) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
PubChem CID102973475
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(OCc2ncncc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O4/c1-2-19-10-3-5-11(6-4-10)20-8-13-12(14(17)18)7-15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18)
InChIKeyQLWCMCAMDIWDNT-UHFFFAOYSA-N
XLogP2.15
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethoxyphenoxy)methyl]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

Related Compounds

4-[(4-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973523
4-[(3,5-dimethylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973493
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[(3,5-difluorophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973648
4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid
CID 102973562
4-(propoxymethyl)pyrimidine-5-carboxylic acid
CID 102973610
4-[(3-iodophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973591
4-[(3-bromophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973498
4-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973511
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973485
4-[(3-fluoro-5-formylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973709
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973672

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid (CID 102973475) is 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid is CCOc1ccc(OCc2ncncc2C(=O)O)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is QLWCMCAMDIWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-19-10-3-5-11(6-4-10)20-8-13-12(14(17)18)7-15-9-16-13/h3-7,9H,2,8H2,1H3,(H,17,18).
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid?
4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).