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

C20H17N3O2 — CID 25186171

IUPAC5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H17N3O2/c24-20(25)17-10-15(13-6-7-13)8-9-18(17)23-16-11-21-19(22-12-16)14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2,(H,24,25)
InChIKeyMWKNDWLOLXYLPG-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.46
Rot. Bonds5

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

5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid (PubChem CID 25186171) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid
PubChem CID25186171
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H17N3O2/c24-20(25)17-10-15(13-6-7-13)8-9-18(17)23-16-11-21-19(22-12-16)14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2,(H,24,25)
InChIKeyMWKNDWLOLXYLPG-UHFFFAOYSA-N
XLogP4.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid (CID 25186171) is 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid?
The InChIKey is MWKNDWLOLXYLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(25)17-10-15(13-6-7-13)8-9-18(17)23-16-11-21-19(22-12-16)14-4-2-1-3-5-14/h1-5,8-13,23H,6-7H2,(H,24,25).
What are the key properties of 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid?
5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid has a molecular weight of 331.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(2-phenylpyrimidin-5-yl)amino]benzoic acid is sourced from PubChem (CID 25186171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).