4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid

C19H15ClN2O3 — CID 11856159

IUPAC4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)c(Oc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C19H15ClN2O3/c1-11-7-8-13(9-12(11)2)17-21-10-14(19(23)24)18(22-17)25-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,23,24)
InChIKeySGCSRODTNHPOFV-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.90
Rot. Bonds4

About 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid

4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 11856159) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid
PubChem CID11856159
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)c(Oc3ccccc3Cl)n2)cc1C
InChIInChI=1S/C19H15ClN2O3/c1-11-7-8-13(9-12(11)2)17-21-10-14(19(23)24)18(22-17)25-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,23,24)
InChIKeySGCSRODTNHPOFV-UHFFFAOYSA-N
XLogP4.90
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-chlorophenoxy)-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 11856692
4-(2-bromophenoxy)-2-phenylpyrimidine-5-carboxylic acid
CID 11855343
2-(2-chlorophenoxy)-6-phenylpyridine-3-carboxylic acid
CID 59585000
[4-(2-methylphenoxy)-2-phenylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42670223
[2-[3,5-bis(trifluoromethyl)phenyl]-4-(2-chlorophenoxy)pyrimidin-5-yl] hydrogen carbonate
CID 90971455
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
[4-(2,3-dichlorophenoxy)-2-phenylpyrimidin-5-yl] hydrogen carbonate
CID 69385267
[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 46111454
[4-(dimethylamino)piperidin-1-yl]-[4-(3,4-dimethylphenoxy)-2-phenylpyrimidin-5-yl]methanone
CID 42882396
4-(2-chlorophenoxy)-6-(3-fluorophenyl)pyridine-3-carboxylic acid
CID 24805160
4-(5-bromo-2-methylphenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213953
5-chloro-2-(3-fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 106511978

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid (CID 11856159) is 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid is Cc1ccc(-c2ncc(C(=O)O)c(Oc3ccccc3Cl)n2)cc1C.
What is the InChIKey of 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is SGCSRODTNHPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11-7-8-13(9-12(11)2)17-21-10-14(19(23)24)18(22-17)25-16-6-4-3-5-15(16)20/h3-10H,1-2H3,(H,23,24).
What are the key properties of 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid?
4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 354.79 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-(3,4-dimethylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 11856159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).