4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid

C22H22N4O3 — CID 118899143

IUPAC4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C22H22N4O3/c27-21(28)17-7-5-16(6-8-17)15-18-9-10-23-22(24-18)25-19-3-1-2-4-20(19)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,27,28)(H,23,24,25)
InChIKeyUENBZMIPTUPJJJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds6

About 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid

4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid (PubChem CID 118899143) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid
PubChem CID118899143
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2ccnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C22H22N4O3/c27-21(28)17-7-5-16(6-8-17)15-18-9-10-23-22(24-18)25-19-3-1-2-4-20(19)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,27,28)(H,23,24,25)
InChIKeyUENBZMIPTUPJJJ-UHFFFAOYSA-N
XLogP3.35
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]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

Related Compounds

2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-(2-morpholin-4-ylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295475
N-(4-carbamoylphenyl)-4-[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 175040828
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668
2-(2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109316472
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
4-N-[(2-methylphenyl)methyl]-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112889811
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112886134

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid (CID 118899143) is 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid is O=C(O)c1ccc(Cc2ccnc(Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid?
The InChIKey is UENBZMIPTUPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(28)17-7-5-16(6-8-17)15-18-9-10-23-22(24-18)25-19-3-1-2-4-20(19)26-11-13-29-14-12-26/h1-10H,11-15H2,(H,27,28)(H,23,24,25).
What are the key properties of 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid?
4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 118899143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).