5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid

C23H21N3O2 — CID 25186719

IUPAC5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C2CC2)nc1
InChIInChI=1S/C23H21N3O2/c27-23(28)20-11-16(14-5-6-14)9-10-21(20)26-17-12-24-22(25-13-17)19-4-2-1-3-18(19)15-7-8-15/h1-4,9-15,26H,5-8H2,(H,27,28)
InChIKeyUFZMOOJDLXYQNJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.34
Rot. Bonds6

About 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid

5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid (PubChem CID 25186719) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid
PubChem CID25186719
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C2CC2)nc1
InChIInChI=1S/C23H21N3O2/c27-23(28)20-11-16(14-5-6-14)9-10-21(20)26-17-12-24-22(25-13-17)19-4-2-1-3-18(19)15-7-8-15/h1-4,9-15,26H,5-8H2,(H,27,28)
InChIKeyUFZMOOJDLXYQNJ-UHFFFAOYSA-N
XLogP5.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid (CID 25186719) is 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C2CC2)nc1.
What is the InChIKey of 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid?
The InChIKey is UFZMOOJDLXYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(28)20-11-16(14-5-6-14)9-10-21(20)26-17-12-24-22(25-13-17)19-4-2-1-3-18(19)15-7-8-15/h1-4,9-15,26H,5-8H2,(H,27,28).
What are the key properties of 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid?
5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid has a molecular weight of 371.44 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[2-(2-cyclopropylphenyl)pyrimidin-5-yl]amino]benzoic acid is sourced from PubChem (CID 25186719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).