2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid

C21H19FN4O4 — CID 123941958

IUPAC2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2ncc(Oc3cccc(N4CCOCC4)c3)cn2)ccc1F
InChIInChI=1S/C21H19FN4O4/c22-19-5-4-14(10-18(19)20(27)28)25-21-23-12-17(13-24-21)30-16-3-1-2-15(11-16)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,27,28)(H,23,24,25)
InChIKeyQSGWTCFXIOTRAH-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.69
Rot. Bonds6

About 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid

2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid (PubChem CID 123941958) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid
PubChem CID123941958
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2ncc(Oc3cccc(N4CCOCC4)c3)cn2)ccc1F
InChIInChI=1S/C21H19FN4O4/c22-19-5-4-14(10-18(19)20(27)28)25-21-23-12-17(13-24-21)30-16-3-1-2-15(11-16)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,27,28)(H,23,24,25)
InChIKeyQSGWTCFXIOTRAH-UHFFFAOYSA-N
XLogP3.69
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-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

Related Compounds

2-fluoro-5-[[5-(3-pyrrolidin-1-ylphenoxy)pyrimidin-2-yl]amino]benzonitrile;2-methoxy-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 67470602
2-methoxy-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzonitrile
CID 54760483
5-(4-fluorophenoxy)-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 59588900
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-[5-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-2-fluorophenyl]prop-2-enamide
CID 118361590
1-[5-fluoro-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
CID 139408357
2-[3-[[5-fluoro-4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729110
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-[3-[5-cyano-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-4-fluorophenyl]prop-2-enamide
CID 123294983
1-[5-fluoro-2-[3-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxylic acid
CID 151466671
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid (CID 123941958) is 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid is O=C(O)c1cc(Nc2ncc(Oc3cccc(N4CCOCC4)c3)cn2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid?
The InChIKey is QSGWTCFXIOTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-19-5-4-14(10-18(19)20(27)28)25-21-23-12-17(13-24-21)30-16-3-1-2-15(11-16)26-6-8-29-9-7-26/h1-5,10-13H,6-9H2,(H,27,28)(H,23,24,25).
What are the key properties of 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid?
2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid has a molecular weight of 410.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[5-(3-morpholin-4-ylphenoxy)pyrimidin-2-yl]amino]benzoic acid is sourced from PubChem (CID 123941958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).