6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid

C15H16N2O3 — CID 82306334

IUPAC6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(C)n2)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-8-9(2)14(20-4)6-5-11(8)12-7-13(15(18)19)17-10(3)16-12/h5-7H,1-4H3,(H,18,19)
InChIKeyUDQKTICLCGGSGW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.78
Rot. Bonds3

About 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid

6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid (PubChem CID 82306334) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
PubChem CID82306334
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(C)n2)c(C)c1C
InChIInChI=1S/C15H16N2O3/c1-8-9(2)14(20-4)6-5-11(8)12-7-13(15(18)19)17-10(3)16-12/h5-7H,1-4H3,(H,18,19)
InChIKeyUDQKTICLCGGSGW-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

2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82295152
4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 95474541
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
6-(furan-2-yl)-2-methylpyrimidine-4-carboxylic acid
CID 121206884
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629
4-bromo-5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858082

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid (CID 82306334) is 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nc(C)n2)c(C)c1C.
What is the InChIKey of 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid?
The InChIKey is UDQKTICLCGGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-9(2)14(20-4)6-5-11(8)12-7-13(15(18)19)17-10(3)16-12/h5-7H,1-4H3,(H,18,19).
What are the key properties of 6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid?
6-(4-methoxy-2,3-dimethylphenyl)-2-methylpyrimidine-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-dimethylphenyl)-2-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82306334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).