2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid

C13H12N2O3 — CID 82168730

IUPAC2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2ccccc2)nc1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-8-14-12(15-9-10)6-7-18-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyACIQXPWSBIQKGW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid

2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid (PubChem CID 82168730) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
PubChem CID82168730
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CCOc2ccccc2)nc1
InChIInChI=1S/C13H12N2O3/c16-13(17)10-8-14-12(15-9-10)6-7-18-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17)
InChIKeyACIQXPWSBIQKGW-UHFFFAOYSA-N
XLogP1.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxylic acid
CID 82168732
2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965732
4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
CID 69142534
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
2-[(2,6-dichlorophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 99976386
2-(4-butoxyphenyl)pyrimidine-5-carboxylic acid
CID 14765882
5-(2-phenoxyethyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619546
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
CID 79793898
2-[4-(12-hydroxydodecoxy)phenyl]pyrimidine-5-carboxylic acid
CID 101149310
2-phenoxyethyl 2-aminoacetate
CID 61302270
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid (CID 82168730) is 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CCOc2ccccc2)nc1.
What is the InChIKey of 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid?
The InChIKey is ACIQXPWSBIQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13(17)10-8-14-12(15-9-10)6-7-18-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,16,17).
What are the key properties of 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid?
2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82168730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).