6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid

C15H16N2O3 — CID 82306331

IUPAC6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)ncn2)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-8-5-11(9(2)10(3)14(8)20-4)12-6-13(15(18)19)17-7-16-12/h5-7H,1-4H3,(H,18,19)
InChIKeyUOWSQTSRBTZGMG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.78
Rot. Bonds3

About 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid

6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 82306331) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
PubChem CID82306331
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1c(C)cc(-c2cc(C(=O)O)ncn2)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-8-5-11(9(2)10(3)14(8)20-4)12-6-13(15(18)19)17-7-16-12/h5-7H,1-4H3,(H,18,19)
InChIKeyUOWSQTSRBTZGMG-UHFFFAOYSA-N
XLogP2.78
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95481161
5-(4-methoxy-2,3,5-trimethylphenyl)thiophene-3-carboxylic acid
CID 98020174
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
[4-(4-methoxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenyl] benzoate
CID 58805684
methyl 6-(2-methylphenyl)pyrimidine-4-carboxylate
CID 122239270
6-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxylic acid
CID 105456990
6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
CID 82306334
5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid
CID 167486684
2-(bromomethyl)-4-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116970317

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid (CID 82306331) is 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid is COc1c(C)cc(-c2cc(C(=O)O)ncn2)c(C)c1C.
What is the InChIKey of 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is UOWSQTSRBTZGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-5-11(9(2)10(3)14(8)20-4)12-6-13(15(18)19)17-7-16-12/h5-7H,1-4H3,(H,18,19).
What are the key properties of 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid?
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82306331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).