5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C24H22FN7OS — CID 58877150

IUPAC5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESFc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C24H22FN7OS/c25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h1-7,12-16,29H,8-11H2,(H,27,30,31)/b28-15+
InChIKeyUOTKWNIKVARHAK-RWPZCVJISA-N
MW475.55 g/mol
LogP4.77
Rot. Bonds7

About 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 58877150) has the molecular formula C24H22FN7OS and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID58877150
Molecular FormulaC24H22FN7OS
Molecular Weight475.55 g/mol
Exact Mass475.16
IUPAC Name5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESFc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C24H22FN7OS/c25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h1-7,12-16,29H,8-11H2,(H,27,30,31)/b28-15+
InChIKeyUOTKWNIKVARHAK-RWPZCVJISA-N
XLogP4.77
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine 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-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 58877150) is 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is UOTKWNIKVARHAK-RWPZCVJISA-N. The full InChI is InChI=1S/C24H22FN7OS/c25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h1-7,12-16,29H,8-11H2,(H,27,30,31)/b28-15+.
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 475.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 58877150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).