6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid

C13H12N2O3 — CID 82294071

IUPAC6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C13H12N2O3/c1-8-3-4-12(18-2)9(5-8)10-6-11(13(16)17)15-7-14-10/h3-7H,1-2H3,(H,16,17)
InChIKeyLJHKFRIXUHPGHH-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.16
Rot. Bonds3

About 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 82294071) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
PubChem CID82294071
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C13H12N2O3/c1-8-3-4-12(18-2)9(5-8)10-6-11(13(16)17)15-7-14-10/h3-7H,1-2H3,(H,16,17)
InChIKeyLJHKFRIXUHPGHH-UHFFFAOYSA-N
XLogP2.16
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
CID 82306331
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
6-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 90105150
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid (CID 82294071) is 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid is COc1ccc(C)cc1-c1cc(C(=O)O)ncn1.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is LJHKFRIXUHPGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-4-12(18-2)9(5-8)10-6-11(13(16)17)15-7-14-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid?
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82294071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).