4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid

C14H14N2O4 — CID 83181490

IUPAC4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
SMILESCc1nc(OCCOc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-10-12(13(17)18)9-15-14(16-10)20-8-7-19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyKLFMIRUNHPGWGQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.94
Rot. Bonds6

About 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid

4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid (PubChem CID 83181490) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
PubChem CID83181490
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
SMILESCc1nc(OCCOc2ccccc2)ncc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-10-12(13(17)18)9-15-14(16-10)20-8-7-19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyKLFMIRUNHPGWGQ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-2-(2-phenoxyethoxy)pyrimidin-5-yl]methanol
CID 83184389
2-[(2-fluorophenyl)methoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181645
2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidine-5-carboxylic acid
CID 106665179
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
2-[(E)-but-2-enoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181790
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
CID 107708674
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 53214743
2-[(4-tert-butylphenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 99976947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid (CID 83181490) is 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid is Cc1nc(OCCOc2ccccc2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid?
The InChIKey is KLFMIRUNHPGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-12(13(17)18)9-15-14(16-10)20-8-7-19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid?
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).