2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid

C18H15N3O2 — CID 59588134

IUPAC2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15N3O2/c22-17(23)12-13-6-8-15(9-7-13)20-18-19-11-10-16(21-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,23)(H,19,20,21)
InChIKeyGQBZKTKWVBKKKO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.51
Rot. Bonds5

About 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid

2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid (PubChem CID 59588134) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
PubChem CID59588134
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15N3O2/c22-17(23)12-13-6-8-15(9-7-13)20-18-19-11-10-16(21-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,23)(H,19,20,21)
InChIKeyGQBZKTKWVBKKKO-UHFFFAOYSA-N
XLogP3.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
2-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 154271986
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
N-[4-(2-aminopyrimidin-4-yl)phenyl]-2-phenylacetamide
CID 141138493
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 58716809
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid (CID 59588134) is 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(Nc2nccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid?
The InChIKey is GQBZKTKWVBKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(23)12-13-6-8-15(9-7-13)20-18-19-11-10-16(21-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,23)(H,19,20,21).
What are the key properties of 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid?
2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid has a molecular weight of 305.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]acetic acid is sourced from PubChem (CID 59588134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).