4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid

C14H14N2O2 — CID 56712611

IUPAC4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid
SMILESCCc1cnc(C)nc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-3-10-8-15-9(2)16-13(10)11-4-6-12(7-5-11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPRAQYOQCPWYPMV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.71
Rot. Bonds3

About 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid

4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid (PubChem CID 56712611) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid
PubChem CID56712611
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid
SMILESCCc1cnc(C)nc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O2/c1-3-10-8-15-9(2)16-13(10)11-4-6-12(7-5-11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyPRAQYOQCPWYPMV-UHFFFAOYSA-N
XLogP2.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-phenylpyridine-3-carboxylic acid
CID 70362739
4-[5-butyl-3-(4-carboxyphenyl)pyrazin-2-yl]benzoic acid
CID 138532302
2-methyl-4-(4-methylsulfanylphenyl)pyrimidine-5-carboxylic acid
CID 82484578
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 126431087
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
4-(5-ethyl-1,3-thiazol-2-yl)benzoic acid
CID 62651340
6-(4-ethoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 82120696
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
CID 115055251
ethane;4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
CID 176966072
4-[6-butyl-3-(4-tert-butylphenyl)pyrazin-2-yl]benzoic acid
CID 138532271
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid?
The IUPAC name of 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid (CID 56712611) is 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid.
What is the SMILES notation for 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid?
The canonical SMILES for 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid is CCc1cnc(C)nc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid?
The InChIKey is PRAQYOQCPWYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-10-8-15-9(2)16-13(10)11-4-6-12(7-5-11)14(17)18/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid?
4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylpyrimidin-4-yl)benzoic acid is sourced from PubChem (CID 56712611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).