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

C24H22N2O3 — CID 58415770

IUPAC5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2OC2CC2)nc1
InChIInChI=1S/C24H22N2O3/c27-24(28)21-12-17(16-5-6-16)7-8-18(21)11-15-13-25-23(26-14-15)20-3-1-2-4-22(20)29-19-9-10-19/h1-4,7-8,12-14,16,19H,5-6,9-11H2,(H,27,28)
InChIKeyAXIHHHCNLNPKSA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.85
Rot. Bonds7

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

5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid (PubChem CID 58415770) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
PubChem CID58415770
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2OC2CC2)nc1
InChIInChI=1S/C24H22N2O3/c27-24(28)21-12-17(16-5-6-16)7-8-18(21)11-15-13-25-23(26-14-15)20-3-1-2-4-22(20)29-19-9-10-19/h1-4,7-8,12-14,16,19H,5-6,9-11H2,(H,27,28)
InChIKeyAXIHHHCNLNPKSA-UHFFFAOYSA-N
XLogP4.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-2-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]benzoic acid
CID 58415876
5-cyclopropyl-2-[[2-(3-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid
CID 58415862
methyl 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoate
CID 56967047
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 143452151
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
CID 159831646
2-fluoro-4-(4-phenylcyclohexyl)benzoic acid
CID 18991194
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
methyl 5-cyclopropyl-2-[(3-phenyl-1H-indol-5-yl)methyl]benzoate
CID 160691384
6-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclohexyl]-1-methylindole-3-carboxylic acid
CID 25204014
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid (CID 58415770) is 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2OC2CC2)nc1.
What is the InChIKey of 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid?
The InChIKey is AXIHHHCNLNPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24(28)21-12-17(16-5-6-16)7-8-18(21)11-15-13-25-23(26-14-15)20-3-1-2-4-22(20)29-19-9-10-19/h1-4,7-8,12-14,16,19H,5-6,9-11H2,(H,27,28).
What are the key properties of 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid?
5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid has a molecular weight of 386.45 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]methyl]benzoic acid is sourced from PubChem (CID 58415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).