5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid

C22H20N2O2 — CID 58415876

IUPAC5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid
SMILESCc1ccccc1-c1ncc(Cc2ccc(C3CC3)cc2C(=O)O)cn1
InChIInChI=1S/C22H20N2O2/c1-14-4-2-3-5-19(14)21-23-12-15(13-24-21)10-18-9-8-17(16-6-7-16)11-20(18)22(25)26/h2-5,8-9,11-13,16H,6-7,10H2,1H3,(H,25,26)
InChIKeyUUHVECBJCUGQKE-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.62
Rot. Bonds5

About 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid

5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid (PubChem CID 58415876) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid
PubChem CID58415876
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid
SMILESCc1ccccc1-c1ncc(Cc2ccc(C3CC3)cc2C(=O)O)cn1
InChIInChI=1S/C22H20N2O2/c1-14-4-2-3-5-19(14)21-23-12-15(13-24-21)10-18-9-8-17(16-6-7-16)11-20(18)22(25)26/h2-5,8-9,11-13,16H,6-7,10H2,1H3,(H,25,26)
InChIKeyUUHVECBJCUGQKE-UHFFFAOYSA-N
XLogP4.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
CID 58415770
5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
CID 58415862
2-[[6-(2-cyanophenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid
CID 58415881
5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
CID 58415904
2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-methylbenzoic acid;methyl 2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-cyclopropylbenzoate
CID 158373022
5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoate
CID 161345289
1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
CID 84782300
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
CID 159831646
5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)methyl]benzoate
CID 160747724
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoate
CID 158615651
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid (CID 58415876) is 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid is Cc1ccccc1-c1ncc(Cc2ccc(C3CC3)cc2C(=O)O)cn1.
What is the InChIKey of 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The InChIKey is UUHVECBJCUGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-14-4-2-3-5-19(14)21-23-12-15(13-24-21)10-18-9-8-17(16-6-7-16)11-20(18)22(25)26/h2-5,8-9,11-13,16H,6-7,10H2,1H3,(H,25,26).
What are the key properties of 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid?
5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid has a molecular weight of 344.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid is sourced from PubChem (CID 58415876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).