2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid

C16H18N2O3 — CID 107554641

IUPAC2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C)c(Oc2nccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O3/c1-10-5-6-11(16(2,3)4)13(9-10)21-15-17-8-7-12(18-15)14(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyJZUXWZLYGAJCTH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.57
Rot. Bonds3

About 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid

2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554641) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
PubChem CID107554641
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C)c(Oc2nccc(C(=O)O)n2)c1
InChIInChI=1S/C16H18N2O3/c1-10-5-6-11(16(2,3)4)13(9-10)21-15-17-8-7-12(18-15)14(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyJZUXWZLYGAJCTH-UHFFFAOYSA-N
XLogP3.57
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-(4-chloro-2,6-dimethylphenoxy)pyrimidine-4-carboxylic acid
CID 107554749
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
2-[4-(hydroxymethyl)-2-methoxyphenoxy]pyrimidine-4-carboxylic acid
CID 107744872
2-(2,4-dimethyl-6-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554847
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554877
4-methyl-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 62960017
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
3-(2-tert-butyl-4-methylphenoxy)pyrazine-2-carboxylic acid
CID 62702582
2-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548433

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid (CID 107554641) is 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid is Cc1ccc(C(C)(C)C)c(Oc2nccc(C(=O)O)n2)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid?
The InChIKey is JZUXWZLYGAJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-6-11(16(2,3)4)13(9-10)21-15-17-8-7-12(18-15)14(19)20/h5-9H,1-4H3,(H,19,20).
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid?
2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).