4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid

C13H12N2O4 — CID 82484332

IUPAC4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ncncc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-18-8-3-4-11(19-2)9(5-8)12-10(13(16)17)6-14-7-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyQSXIESXSSPMKEF-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.86
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid

4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid (PubChem CID 82484332) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
PubChem CID82484332
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ncncc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4/c1-18-8-3-4-11(19-2)9(5-8)12-10(13(16)17)6-14-7-15-12/h3-7H,1-2H3,(H,16,17)
InChIKeyQSXIESXSSPMKEF-UHFFFAOYSA-N
XLogP1.86
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethoxyanilino)methyl]pyrimidine-5-carboxylic acid
CID 103233124
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
2-[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]acetic acid
CID 82488923
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-[4-(2-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482947
4-[[(3-methoxyphenyl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 103239885
5-(2,5-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223755

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid (CID 82484332) is 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid is COc1ccc(OC)c(-c2ncncc2C(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is QSXIESXSSPMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-8-3-4-11(19-2)9(5-8)12-10(13(16)17)6-14-7-15-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid?
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82484332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).